2-chloro-4-methylpyridin-3-amine;2-(cyclopropylamino)pyridine-3-carboxamide;2-cyclopropyl-12-methyl-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one

C31H33ClN8O2 — CID 162007530

IUPAC2-chloro-4-methylpyridin-3-amine;2-(cyclopropylamino)pyridine-3-carboxamide;2-cyclopropyl-12-methyl-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one
SMILESCc1ccnc(Cl)c1N.Cc1ccnc2c1CC(=O)c1cccnc1N2C1CC1.NC(=O)c1cccnc1NC1CC1
InChIInChI=1S/C16H15N3O.C9H11N3O.C6H7ClN2/c1-10-6-8-18-16-13(10)9-14(20)12-3-2-7-17-15(12)19(16)11-4-5-11;10-8(13)7-2-1-5-11-9(7)12-6-3-4-6;1-4-2-3-9-6(7)5(4)8/h2-3,6-8,11H,4-5,9H2,1H3;1-2,5-6H,3-4H2,(H2,10,13)(H,11,12);2-3H,8H2,1H3
InChIKeyYTANMMDJFNZWGX-UHFFFAOYSA-N
MW585.11 g/mol
LogP5.20
Rot. Bonds4

About 2-chloro-4-methylpyridin-3-amine;2-(cyclopropylamino)pyridine-3-carboxamide;2-cyclopropyl-12-methyl-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one

2-chloro-4-methylpyridin-3-amine;2-(cyclopropylamino)pyridine-3-carboxamide;2-cyclopropyl-12-methyl-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one (PubChem CID 162007530) has the molecular formula C31H33ClN8O2 and a molecular weight of 585.11 g/mol. Its IUPAC name is 2-chloro-4-methylpyridin-3-amine;2-(cyclopropylamino)pyridine-3-carboxamide;2-cyclopropyl-12-methyl-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one.

Molecular Properties

Compound Name2-chloro-4-methylpyridin-3-amine;2-(cyclopropylamino)pyridine-3-carboxamide;2-cyclopropyl-12-methyl-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one
PubChem CID162007530
Molecular FormulaC31H33ClN8O2
Molecular Weight585.11 g/mol
Exact Mass584.24
IUPAC Name2-chloro-4-methylpyridin-3-amine;2-(cyclopropylamino)pyridine-3-carboxamide;2-cyclopropyl-12-methyl-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one
SMILESCc1ccnc(Cl)c1N.Cc1ccnc2c1CC(=O)c1cccnc1N2C1CC1.NC(=O)c1cccnc1NC1CC1
InChIInChI=1S/C16H15N3O.C9H11N3O.C6H7ClN2/c1-10-6-8-18-16-13(10)9-14(20)12-3-2-7-17-15(12)19(16)11-4-5-11;10-8(13)7-2-1-5-11-9(7)12-6-3-4-6;1-4-2-3-9-6(7)5(4)8/h2-3,6-8,11H,4-5,9H2,1H3;1-2,5-6H,3-4H2,(H2,10,13)(H,11,12);2-3H,8H2,1H3
InChIKeyYTANMMDJFNZWGX-UHFFFAOYSA-N
XLogP5.20
TPSA153.01 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.11
LogP ≤ 55.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-4-methylpyridin-3-amine;2-(cyclopropylamino)pyridine-3-carboxamide;2-cyclopropyl-12-methyl-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one with MolForge

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Related Compounds

N-(5-amino-6-chloro-4-methyl-3-pyridinyl)-2-(cyclopropylamino)pyridine-3-carboxamide
CID 122423281
2-cyclopropyl-7-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one;pentanedioic acid
CID 139196291
ethyl 2-[(4-carbamoylcyclohexyl)amino]pyridine-3-carboxylate
CID 61044227
2-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxamide
CID 107143766
2-[[(3S)-oxolan-3-yl]amino]pyridine-3-carboxamide
CID 139960156
methyl 2-(cyclopropylamino)pyridine-3-carboxylate
CID 60722666
2-(cycloheptylamino)pyridine-3-carboxylic acid
CID 43236673
2-cyclopropyl-7-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one;N'-hydroxy-N-phenyloctanediamide
CID 165413748
methanesulfonate;[3-(methylcarbamoyl)pyridin-1-ium-1-yl]methyl 2-cyclopropyl-7-methyl-10-oxo-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene-9-carboxylate
CID 90096102
2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methylamino]pyridine-3-carboxamide
CID 131890985
2-(cyclopropylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 84574880
2-[[4-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]amino]pyridine-3-carboxamide
CID 146423182

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methylpyridin-3-amine;2-(cyclopropylamino)pyridine-3-carboxamide;2-cyclopropyl-12-methyl-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one?
The IUPAC name of 2-chloro-4-methylpyridin-3-amine;2-(cyclopropylamino)pyridine-3-carboxamide;2-cyclopropyl-12-methyl-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one (CID 162007530) is 2-chloro-4-methylpyridin-3-amine;2-(cyclopropylamino)pyridine-3-carboxamide;2-cyclopropyl-12-methyl-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one.
What is the SMILES notation for 2-chloro-4-methylpyridin-3-amine;2-(cyclopropylamino)pyridine-3-carboxamide;2-cyclopropyl-12-methyl-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one?
The canonical SMILES for 2-chloro-4-methylpyridin-3-amine;2-(cyclopropylamino)pyridine-3-carboxamide;2-cyclopropyl-12-methyl-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one is Cc1ccnc(Cl)c1N.Cc1ccnc2c1CC(=O)c1cccnc1N2C1CC1.NC(=O)c1cccnc1NC1CC1.
What is the InChIKey of 2-chloro-4-methylpyridin-3-amine;2-(cyclopropylamino)pyridine-3-carboxamide;2-cyclopropyl-12-methyl-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one?
The InChIKey is YTANMMDJFNZWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O.C9H11N3O.C6H7ClN2/c1-10-6-8-18-16-13(10)9-14(20)12-3-2-7-17-15(12)19(16)11-4-5-11;10-8(13)7-2-1-5-11-9(7)12-6-3-4-6;1-4-2-3-9-6(7)5(4)8/h2-3,6-8,11H,4-5,9H2,1H3;1-2,5-6H,3-4H2,(H2,10,13)(H,11,12);2-3H,8H2,1H3.
What are the key properties of 2-chloro-4-methylpyridin-3-amine;2-(cyclopropylamino)pyridine-3-carboxamide;2-cyclopropyl-12-methyl-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one?
2-chloro-4-methylpyridin-3-amine;2-(cyclopropylamino)pyridine-3-carboxamide;2-cyclopropyl-12-methyl-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one has a molecular weight of 585.11 g/mol, XLogP of 5.20, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methylpyridin-3-amine;2-(cyclopropylamino)pyridine-3-carboxamide;2-cyclopropyl-12-methyl-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one is sourced from PubChem (CID 162007530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).