(2-amino-5-cyclopropyl-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone;molecular hydrogen

C19H29N5O — CID 158169034

IUPAC(2-amino-5-cyclopropyl-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone;molecular hydrogen
SMILESNc1ncc(C2CC2)cc1C(=O)c1cccc(N2CCCNCC2)n1.[H][H].[H][H].[H][H]
InChIInChI=1S/C19H23N5O.3H2/c20-19-15(11-14(12-22-19)13-5-6-13)18(25)16-3-1-4-17(23-16)24-9-2-7-21-8-10-24;;;/h1,3-4,11-13,21H,2,5-10H2,(H2,20,22);3*1H
InChIKeyFXFKDBAZZOEFNK-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.70
Rot. Bonds4

About (2-amino-5-cyclopropyl-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone;molecular hydrogen

(2-amino-5-cyclopropyl-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone;molecular hydrogen (PubChem CID 158169034) has the molecular formula C19H29N5O and a molecular weight of 343.47 g/mol. Its IUPAC name is (2-amino-5-cyclopropyl-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone;molecular hydrogen.

Molecular Properties

Compound Name(2-amino-5-cyclopropyl-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone;molecular hydrogen
PubChem CID158169034
Molecular FormulaC19H29N5O
Molecular Weight343.47 g/mol
Exact Mass343.24
IUPAC Name(2-amino-5-cyclopropyl-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone;molecular hydrogen
SMILESNc1ncc(C2CC2)cc1C(=O)c1cccc(N2CCCNCC2)n1.[H][H].[H][H].[H][H]
InChIInChI=1S/C19H23N5O.3H2/c20-19-15(11-14(12-22-19)13-5-6-13)18(25)16-3-1-4-17(23-16)24-9-2-7-21-8-10-24;;;/h1,3-4,11-13,21H,2,5-10H2,(H2,20,22);3*1H
InChIKeyFXFKDBAZZOEFNK-UHFFFAOYSA-N
XLogP2.70
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2-amino-5-cyclopropyl-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone;molecular hydrogen with MolForge

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Launch Full Analysis

Related Compounds

(2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone;molecular hydrogen
CID 157359647
[2-amino-5-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone;molecular hydrogen
CID 162035527
[6-(1,4-diazepan-1-yl)-2-pyridinyl]-[2-methyl-5-(trifluoromethyl)-3-pyridinyl]methanone
CID 58207392
(2-amino-5-pyridin-4-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen
CID 157450285
[6-(1,4-diazepan-1-yl)-2-pyridinyl]-[5-(3-hydroxyphenyl)-2-methyl-3-pyridinyl]methanone
CID 58207495
2-aminopyridine-3-carbonitrile;(2-amino-3-pyridinyl)-(6-bromo-2-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone;1,4-diazepane;2,6-dibromopyridine
CID 158287346
[2-amino-5-(4-hydroxyphenyl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen
CID 161243728
[5-(cyclohexen-1-yl)-2-methyl-3-pyridinyl]-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone
CID 58207416
(2-amino-5-bromo-3-pyridinyl)-[4-(1,4-diazepan-1-yl)-1,3-thiazol-2-yl]methanone;molecular hydrogen
CID 161032992
(2-amino-3-pyridinyl)-[6-(3-pyridin-3-ylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen
CID 160845215
[2-amino-5-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-[6-(azepan-1-yl)-2-pyridinyl]methanone
CID 67740536
[6-(1,4-diazepan-1-yl)-2-pyridinyl]-[5-(4-methylphenyl)-3-pyridinyl]methanone
CID 67738808

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-cyclopropyl-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone;molecular hydrogen?
The IUPAC name of (2-amino-5-cyclopropyl-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone;molecular hydrogen (CID 158169034) is (2-amino-5-cyclopropyl-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone;molecular hydrogen.
What is the SMILES notation for (2-amino-5-cyclopropyl-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone;molecular hydrogen?
The canonical SMILES for (2-amino-5-cyclopropyl-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone;molecular hydrogen is Nc1ncc(C2CC2)cc1C(=O)c1cccc(N2CCCNCC2)n1.[H][H].[H][H].[H][H].
What is the InChIKey of (2-amino-5-cyclopropyl-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone;molecular hydrogen?
The InChIKey is FXFKDBAZZOEFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O.3H2/c20-19-15(11-14(12-22-19)13-5-6-13)18(25)16-3-1-4-17(23-16)24-9-2-7-21-8-10-24;;;/h1,3-4,11-13,21H,2,5-10H2,(H2,20,22);3*1H.
What are the key properties of (2-amino-5-cyclopropyl-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone;molecular hydrogen?
(2-amino-5-cyclopropyl-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone;molecular hydrogen has a molecular weight of 343.47 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-cyclopropyl-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone;molecular hydrogen is sourced from PubChem (CID 158169034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).