(2-amino-3-pyridinyl)-[3-chloro-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone

C19H24ClN5O — CID 24995663

IUPAC(2-amino-3-pyridinyl)-[3-chloro-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone
SMILESCC(C)C[C@H]1CN(c2ccc(Cl)c(C(=O)c3cccnc3N)n2)CCN1
InChIInChI=1S/C19H24ClN5O/c1-12(2)10-13-11-25(9-8-22-13)16-6-5-15(20)17(24-16)18(26)14-4-3-7-23-19(14)21/h3-7,12-13,22H,8-11H2,1-2H3,(H2,21,23)/t13-/m0/s1
InChIKeyFDFNBRWULOMEEQ-ZDUSSCGKSA-N
MW373.89 g/mol
LogP2.77
Rot. Bonds5

About (2-amino-3-pyridinyl)-[3-chloro-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone

(2-amino-3-pyridinyl)-[3-chloro-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone (PubChem CID 24995663) has the molecular formula C19H24ClN5O and a molecular weight of 373.89 g/mol. Its IUPAC name is (2-amino-3-pyridinyl)-[3-chloro-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone.

Molecular Properties

Compound Name(2-amino-3-pyridinyl)-[3-chloro-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone
PubChem CID24995663
Molecular FormulaC19H24ClN5O
Molecular Weight373.89 g/mol
Exact Mass373.17
IUPAC Name(2-amino-3-pyridinyl)-[3-chloro-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone
SMILESCC(C)C[C@H]1CN(c2ccc(Cl)c(C(=O)c3cccnc3N)n2)CCN1
InChIInChI=1S/C19H24ClN5O/c1-12(2)10-13-11-25(9-8-22-13)16-6-5-15(20)17(24-16)18(26)14-4-3-7-23-19(14)21/h3-7,12-13,22H,8-11H2,1-2H3,(H2,21,23)/t13-/m0/s1
InChIKeyFDFNBRWULOMEEQ-ZDUSSCGKSA-N
XLogP2.77
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.89
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2-amino-3-pyridinyl)-[3-chloro-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone with MolForge

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Related Compounds

BPKDi
CID 46901383
13-[2-(2-Aminopyridin-4-yl)ethyl]-5-chloro-2-ethyl-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470751
5-Chloro-2-ethyl-9-methyl-13-[2-(2-methylpyridin-4-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470758
Rac-(5-chloro-6-(6-methylpyridin-3-ylamino)pyridin-3-yl)(2-ethylpiperidin-1-yl)methanone
CID 23725698
(5-Chloro-6-((6-methylpyridin-3-yl)amino)pyridin-3-yl)-((2R)-2-ethylpiperidin-1-yl)methanone
CID 23725699
N-(3-{(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl}phenyl)-6-methylnicotinamide
CID 25218451
(S)-5-chloro-6-(4-(1-(4-chlorobenzyl)piperidin-4-yl)-3-ethylpiperazin-1-yl)-N-ethylnicotinamide
CID 44592137
2-Piperazin-1-yl-6-[2-(propan-2-ylamino)-4-pyridinyl]pyridine-4-carboxamide
CID 46901542
2''-(2-Chlorophenylamino)-6-piperazin-1-yl[2,4'']bipyridinyl-4-carboxylic Acid Amide
CID 46901544
5-[(3S)-4-[1-(2-amino-6-chloropyridine-3-carbonyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]-6-chloro-N-propan-2-ylpyrazine-2-carboxamide
CID 57390765
(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-phenyl-2-pyridinyl]methanone
CID 57690545
4-(2-{5-Chloro-2-ethyl-9-methyl-10-oxo-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-13-yl}ethyl)pyridine-2-carboxamide
CID 470763

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-pyridinyl)-[3-chloro-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone?
The IUPAC name of (2-amino-3-pyridinyl)-[3-chloro-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone (CID 24995663) is (2-amino-3-pyridinyl)-[3-chloro-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone.
What is the SMILES notation for (2-amino-3-pyridinyl)-[3-chloro-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone?
The canonical SMILES for (2-amino-3-pyridinyl)-[3-chloro-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone is CC(C)C[C@H]1CN(c2ccc(Cl)c(C(=O)c3cccnc3N)n2)CCN1.
What is the InChIKey of (2-amino-3-pyridinyl)-[3-chloro-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone?
The InChIKey is FDFNBRWULOMEEQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H24ClN5O/c1-12(2)10-13-11-25(9-8-22-13)16-6-5-15(20)17(24-16)18(26)14-4-3-7-23-19(14)21/h3-7,12-13,22H,8-11H2,1-2H3,(H2,21,23)/t13-/m0/s1.
What are the key properties of (2-amino-3-pyridinyl)-[3-chloro-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone?
(2-amino-3-pyridinyl)-[3-chloro-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone has a molecular weight of 373.89 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-pyridinyl)-[3-chloro-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone is sourced from PubChem (CID 24995663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).