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

C24H24ClN5O2 — CID 71748820

IUPACN-[4-[(3S)-1-cyano-3-hydroxycyclopentyl]phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;hydrochloride
SMILESCl.N#CC1(c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc2)CC[C@H](O)C1
InChIInChI=1S/C24H23N5O2.ClH/c25-16-24(10-7-20(30)14-24)18-3-5-19(6-4-18)29-23(31)21-2-1-11-27-22(21)28-15-17-8-12-26-13-9-17;/h1-6,8-9,11-13,20,30H,7,10,14-15H2,(H,27,28)(H,29,31);1H/t20-,24?;/m0./s1
InChIKeyMKYYCCAFGYUXJH-BAHZNLOQSA-N
MW449.94 g/mol
LogP4.07
Rot. Bonds6

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

N-[4-[(3S)-1-cyano-3-hydroxycyclopentyl]phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;hydrochloride (PubChem CID 71748820) has the molecular formula C24H24ClN5O2 and a molecular weight of 449.94 g/mol. Its IUPAC name is N-[4-[(3S)-1-cyano-3-hydroxycyclopentyl]phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[(3S)-1-cyano-3-hydroxycyclopentyl]phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;hydrochloride
PubChem CID71748820
Molecular FormulaC24H24ClN5O2
Molecular Weight449.94 g/mol
Exact Mass449.16
IUPAC NameN-[4-[(3S)-1-cyano-3-hydroxycyclopentyl]phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;hydrochloride
SMILESCl.N#CC1(c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc2)CC[C@H](O)C1
InChIInChI=1S/C24H23N5O2.ClH/c25-16-24(10-7-20(30)14-24)18-3-5-19(6-4-18)29-23(31)21-2-1-11-27-22(21)28-15-17-8-12-26-13-9-17;/h1-6,8-9,11-13,20,30H,7,10,14-15H2,(H,27,28)(H,29,31);1H/t20-,24?;/m0./s1
InChIKeyMKYYCCAFGYUXJH-BAHZNLOQSA-N
XLogP4.07
TPSA110.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.94
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4-[(3S)-1-cyano-3-hydroxycyclopentyl]phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[4-(1-cyanocyclopropyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 11268688
N-[4-(1-cyanocyclopentyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide nitrate
CID 45138817
N-[4-(1-cyanocyclopentyl)phenyl]-2-[(1-oxidopyridin-1-ium-4-yl)methylamino]pyridine-3-carboxamide;hydrochloride
CID 71313460
N-[4-(1-cyanocyclopentyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;naphthalene-2-sulfonic acid
CID 45137170
N-[4-[1-(hydroxymethyl)cyclobutyl]phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 11349748
N-[4-(1-cyanocyclopropyl)phenyl]-2-(pyridin-4-ylmethylamino)benzamide
CID 11326111
N-(4-cyclohexylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 22249467
N-(4-phenoxyphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;hydrochloride
CID 22249212
N-(4-imidazol-1-ylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 22249186
N-(4-methylsulfonylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 22249375
N-[4-(4-hydroxybutyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 10270887
N-[3-(fluoromethyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 70907405

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S)-1-cyano-3-hydroxycyclopentyl]phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-[4-[(3S)-1-cyano-3-hydroxycyclopentyl]phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;hydrochloride (CID 71748820) is N-[4-[(3S)-1-cyano-3-hydroxycyclopentyl]phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-[(3S)-1-cyano-3-hydroxycyclopentyl]phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[4-[(3S)-1-cyano-3-hydroxycyclopentyl]phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;hydrochloride is Cl.N#CC1(c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc2)CC[C@H](O)C1.
What is the InChIKey of N-[4-[(3S)-1-cyano-3-hydroxycyclopentyl]phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;hydrochloride?
The InChIKey is MKYYCCAFGYUXJH-BAHZNLOQSA-N. The full InChI is InChI=1S/C24H23N5O2.ClH/c25-16-24(10-7-20(30)14-24)18-3-5-19(6-4-18)29-23(31)21-2-1-11-27-22(21)28-15-17-8-12-26-13-9-17;/h1-6,8-9,11-13,20,30H,7,10,14-15H2,(H,27,28)(H,29,31);1H/t20-,24?;/m0./s1.
What are the key properties of N-[4-[(3S)-1-cyano-3-hydroxycyclopentyl]phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;hydrochloride?
N-[4-[(3S)-1-cyano-3-hydroxycyclopentyl]phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;hydrochloride has a molecular weight of 449.94 g/mol, XLogP of 4.07, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S)-1-cyano-3-hydroxycyclopentyl]phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 71748820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).