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

C16H23N5O — CID 157359647

IUPAC(2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone;molecular hydrogen
SMILESNc1ncccc1C(=O)c1cccc(N2CCCNCC2)n1.[H][H].[H][H]
InChIInChI=1S/C16H19N5O.2H2/c17-16-12(4-2-8-19-16)15(22)13-5-1-6-14(20-13)21-10-3-7-18-9-11-21;;/h1-2,4-6,8,18H,3,7,9-11H2,(H2,17,19);2*1H
InChIKeyBIMHHRNYZSNIBF-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.58
Rot. Bonds3

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

(2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone;molecular hydrogen (PubChem CID 157359647) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is (2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone;molecular hydrogen.

Molecular Properties

Compound Name(2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone;molecular hydrogen
PubChem CID157359647
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name(2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone;molecular hydrogen
SMILESNc1ncccc1C(=O)c1cccc(N2CCCNCC2)n1.[H][H].[H][H]
InChIInChI=1S/C16H19N5O.2H2/c17-16-12(4-2-8-19-16)15(22)13-5-1-6-14(20-13)21-10-3-7-18-9-11-21;;/h1-2,4-6,8,18H,3,7,9-11H2,(H2,17,19);2*1H
InChIKeyBIMHHRNYZSNIBF-UHFFFAOYSA-N
XLogP1.58
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-cyclopropyl-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone;molecular hydrogen
CID 158169034
[2-amino-5-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone;molecular hydrogen
CID 162035527
(2-amino-3-pyridinyl)-[6-(3-pyridin-3-ylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen
CID 160845215
(2-amino-3-pyridinyl)-[6-[4-(cyclopropylamino)piperidin-1-yl]-2-pyridinyl]methanone
CID 24993479
(2-amino-3-pyridinyl)-[6-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]methanone
CID 24993155
(2-amino-3-pyridinyl)-[6-[3-(4-chlorophenyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen
CID 161079652
(2-amino-3-pyridinyl)-[6-[3-(3,4-dichlorophenyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen
CID 159979319
1-[4-[6-(2-aminopyridine-3-carbonyl)-2-pyridinyl]-1,4-diazepan-1-yl]-2-(2-chlorophenyl)ethanone;molecular hydrogen
CID 158917234
(2-amino-3-pyridinyl)-[6-[4-(3-methylfuran-2-carbonyl)-1,4-diazepan-1-yl]-2-pyridinyl]methanone;molecular hydrogen
CID 158218856
(2-amino-3-pyridinyl)-[6-[3-(2-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone
CID 24995354
[6-(1,4-diazepan-1-yl)-2-pyridinyl]-[2-methyl-5-(trifluoromethyl)-3-pyridinyl]methanone
CID 58207392

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone;molecular hydrogen?
The IUPAC name of (2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone;molecular hydrogen (CID 157359647) is (2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone;molecular hydrogen.
What is the SMILES notation for (2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone;molecular hydrogen?
The canonical SMILES for (2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone;molecular hydrogen is Nc1ncccc1C(=O)c1cccc(N2CCCNCC2)n1.[H][H].[H][H].
What is the InChIKey of (2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone;molecular hydrogen?
The InChIKey is BIMHHRNYZSNIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O.2H2/c17-16-12(4-2-8-19-16)15(22)13-5-1-6-14(20-13)21-10-3-7-18-9-11-21;;/h1-2,4-6,8,18H,3,7,9-11H2,(H2,17,19);2*1H.
What are the key properties of (2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone;molecular hydrogen?
(2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone;molecular hydrogen has a molecular weight of 301.39 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone;molecular hydrogen is sourced from PubChem (CID 157359647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).