N-[4-(1-cyanocyclopentyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;hydrochloride

C24H24ClN5O — CID 45136888

IUPACN-[4-(1-cyanocyclopentyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;hydrochloride
SMILESCl.N#CC1(c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc2)CCCC1
InChIInChI=1S/C24H23N5O.ClH/c25-17-24(11-1-2-12-24)19-5-7-20(8-6-19)29-23(30)21-4-3-13-27-22(21)28-16-18-9-14-26-15-10-18;/h3-10,13-15H,1-2,11-12,16H2,(H,27,28)(H,29,30);1H
InChIKeyYJFMYZMORFXPKW-UHFFFAOYSA-N
MW433.94 g/mol
LogP5.10
Rot. Bonds6

About N-[4-(1-cyanocyclopentyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;hydrochloride

N-[4-(1-cyanocyclopentyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;hydrochloride (PubChem CID 45136888) has the molecular formula C24H24ClN5O and a molecular weight of 433.94 g/mol. Its IUPAC name is N-[4-(1-cyanocyclopentyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(1-cyanocyclopentyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;hydrochloride
PubChem CID45136888
Molecular FormulaC24H24ClN5O
Molecular Weight433.94 g/mol
Exact Mass433.17
IUPAC NameN-[4-(1-cyanocyclopentyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;hydrochloride
SMILESCl.N#CC1(c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc2)CCCC1
InChIInChI=1S/C24H23N5O.ClH/c25-17-24(11-1-2-12-24)19-5-7-20(8-6-19)29-23(30)21-4-3-13-27-22(21)28-16-18-9-14-26-15-10-18;/h3-10,13-15H,1-2,11-12,16H2,(H,27,28)(H,29,30);1H
InChIKeyYJFMYZMORFXPKW-UHFFFAOYSA-N
XLogP5.10
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.94
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-cyanocyclopentyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-[4-(1-cyanocyclopentyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;hydrochloride (CID 45136888) is N-[4-(1-cyanocyclopentyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(1-cyanocyclopentyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(1-cyanocyclopentyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;hydrochloride is Cl.N#CC1(c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc2)CCCC1.
What is the InChIKey of N-[4-(1-cyanocyclopentyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;hydrochloride?
The InChIKey is YJFMYZMORFXPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O.ClH/c25-17-24(11-1-2-12-24)19-5-7-20(8-6-19)29-23(30)21-4-3-13-27-22(21)28-16-18-9-14-26-15-10-18;/h3-10,13-15H,1-2,11-12,16H2,(H,27,28)(H,29,30);1H.
What are the key properties of N-[4-(1-cyanocyclopentyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;hydrochloride?
N-[4-(1-cyanocyclopentyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;hydrochloride has a molecular weight of 433.94 g/mol, XLogP of 5.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-cyanocyclopentyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 45136888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).