4-amino-N-(4,6-dimethyl-2-pyridinyl)-1-methylpyrrole-2-carboxamide

C13H16N4O — CID 114931717

IUPAC4-amino-N-(4,6-dimethyl-2-pyridinyl)-1-methylpyrrole-2-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2cc(N)cn2C)c1
InChIInChI=1S/C13H16N4O/c1-8-4-9(2)15-12(5-8)16-13(18)11-6-10(14)7-17(11)3/h4-7H,14H2,1-3H3,(H,15,16,18)
InChIKeyGBZXWGZINRIPAQ-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.87
Rot. Bonds2

About 4-amino-N-(4,6-dimethyl-2-pyridinyl)-1-methylpyrrole-2-carboxamide

4-amino-N-(4,6-dimethyl-2-pyridinyl)-1-methylpyrrole-2-carboxamide (PubChem CID 114931717) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-amino-N-(4,6-dimethyl-2-pyridinyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4,6-dimethyl-2-pyridinyl)-1-methylpyrrole-2-carboxamide
PubChem CID114931717
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-amino-N-(4,6-dimethyl-2-pyridinyl)-1-methylpyrrole-2-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2cc(N)cn2C)c1
InChIInChI=1S/C13H16N4O/c1-8-4-9(2)15-12(5-8)16-13(18)11-6-10(14)7-17(11)3/h4-7H,14H2,1-3H3,(H,15,16,18)
InChIKeyGBZXWGZINRIPAQ-UHFFFAOYSA-N
XLogP1.87
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Unii-O3pen5V8WL
CID 453331
N11-Ethyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
CID 453308
4,N11-Diethyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
CID 453335
2-Cyclopropyl-5,7-dimethyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 463134
Dipyridodiazepinone deriv. 8
CID 463137
Dipyridodiazepinone deriv. 5
CID 463543
Monoimidazole Lexitropsin
CID 150552
2,3-Dimethyl-N11-ethyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
CID 453340
Dipyridodiazepinone deriv. 7
CID 463136
Dipyridodiazepinone deriv. 9
CID 463138
5-{[(1R,2S)-2-aminocyclohexyl]amino}-3-[(4,6-dimethylpyridin-2-yl)amino]pyridine-2-carboxamide
CID 71533675
5-[[(1-Aminocyclopropyl)methyl]amino]-3-[(4,6-dimethyl-2-pyridinyl)amino]-2-pyridinecarboxamide
CID 90355303

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4,6-dimethyl-2-pyridinyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(4,6-dimethyl-2-pyridinyl)-1-methylpyrrole-2-carboxamide (CID 114931717) is 4-amino-N-(4,6-dimethyl-2-pyridinyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(4,6-dimethyl-2-pyridinyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(4,6-dimethyl-2-pyridinyl)-1-methylpyrrole-2-carboxamide is Cc1cc(C)nc(NC(=O)c2cc(N)cn2C)c1.
What is the InChIKey of 4-amino-N-(4,6-dimethyl-2-pyridinyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is GBZXWGZINRIPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-8-4-9(2)15-12(5-8)16-13(18)11-6-10(14)7-17(11)3/h4-7H,14H2,1-3H3,(H,15,16,18).
What are the key properties of 4-amino-N-(4,6-dimethyl-2-pyridinyl)-1-methylpyrrole-2-carboxamide?
4-amino-N-(4,6-dimethyl-2-pyridinyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4,6-dimethyl-2-pyridinyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 114931717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).