N-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]pyridine-3-carboxamide

C22H22ClN5O2 — CID 67221896

IUPACN-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]pyridine-3-carboxamide
SMILESO=C(Nc1cc(-c2cccc(NCC3CCOCC3)n2)c(Cl)cn1)c1cccnc1
InChIInChI=1S/C22H22ClN5O2/c23-18-14-26-21(28-22(29)16-3-2-8-24-13-16)11-17(18)19-4-1-5-20(27-19)25-12-15-6-9-30-10-7-15/h1-5,8,11,13-15H,6-7,9-10,12H2,(H,25,27)(H,26,28,29)
InChIKeyIONSDHPATNRVPM-UHFFFAOYSA-N
MW423.90 g/mol
LogP4.28
Rot. Bonds6

About N-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]pyridine-3-carboxamide

N-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 67221896) has the molecular formula C22H22ClN5O2 and a molecular weight of 423.90 g/mol. Its IUPAC name is N-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]pyridine-3-carboxamide
PubChem CID67221896
Molecular FormulaC22H22ClN5O2
Molecular Weight423.90 g/mol
Exact Mass423.15
IUPAC NameN-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]pyridine-3-carboxamide
SMILESO=C(Nc1cc(-c2cccc(NCC3CCOCC3)n2)c(Cl)cn1)c1cccnc1
InChIInChI=1S/C22H22ClN5O2/c23-18-14-26-21(28-22(29)16-3-2-8-24-13-16)11-17(18)19-4-1-5-20(27-19)25-12-15-6-9-30-10-7-15/h1-5,8,11,13-15H,6-7,9-10,12H2,(H,25,27)(H,26,28,29)
InChIKeyIONSDHPATNRVPM-UHFFFAOYSA-N
XLogP4.28
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]pyridine-3-carboxamide with MolForge

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Related Compounds

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
6-Piperazin-1-yl-2'-(tetrahydropyran-4-ylamino)-[2,4']bipyridinyl-4-carboxylic acid amide
CID 46901385
2''-(2-Chlorophenylamino)-6-piperazin-1-yl[2,4'']bipyridinyl-4-carboxylic Acid Amide
CID 46901544
(3R)-N-[5-chloro-4-[5-fluoro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide
CID 67222084
2-chloro-N-(6-methylpyridin-2-yl)pyridine-3-carboxamide
CID 4174965
Nvp-cee321
CID 129165016
N-(3-chlorophenyl)-2-(pyridin-4-ylmethylamino)nicotinamide
CID 10131963
N-(4-chlorophenyl)-2-(pyridin-4-ylmethylamino)nicotinamide
CID 10290951
6-(3-chloroanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 10385575
4-cyclopropyl-6-(2,4-dichlorophenylamino)-N-((tetrahydro-2H-pyran-4-yl)methyl)nicotinamide
CID 11154357
4-cyclopentyl-6-(2,4-dichloroanilino)-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 11259422

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of N-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]pyridine-3-carboxamide (CID 67221896) is N-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for N-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]pyridine-3-carboxamide is O=C(Nc1cc(-c2cccc(NCC3CCOCC3)n2)c(Cl)cn1)c1cccnc1.
What is the InChIKey of N-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]pyridine-3-carboxamide?
The InChIKey is IONSDHPATNRVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O2/c23-18-14-26-21(28-22(29)16-3-2-8-24-13-16)11-17(18)19-4-1-5-20(27-19)25-12-15-6-9-30-10-7-15/h1-5,8,11,13-15H,6-7,9-10,12H2,(H,25,27)(H,26,28,29).
What are the key properties of N-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]pyridine-3-carboxamide?
N-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 423.90 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 67221896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).