6-[(5-cyanopyrazin-2-yl)amino]-N-phenyl-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide

C23H24N8O — CID 42610297

IUPAC6-[(5-cyanopyrazin-2-yl)amino]-N-phenyl-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide
SMILESN#Cc1cnc(Nc2cc(NCC3CCNCC3)c(C(=O)Nc3ccccc3)cn2)cn1
InChIInChI=1S/C23H24N8O/c24-11-18-13-28-22(15-26-18)31-21-10-20(27-12-16-6-8-25-9-7-16)19(14-29-21)23(32)30-17-4-2-1-3-5-17/h1-5,10,13-16,25H,6-9,12H2,(H,30,32)(H2,27,28,29,31)
InChIKeyOHPLTMNJIZQXSC-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.15
Rot. Bonds7

About 6-[(5-cyanopyrazin-2-yl)amino]-N-phenyl-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide

6-[(5-cyanopyrazin-2-yl)amino]-N-phenyl-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide (PubChem CID 42610297) has the molecular formula C23H24N8O and a molecular weight of 428.50 g/mol. Its IUPAC name is 6-[(5-cyanopyrazin-2-yl)amino]-N-phenyl-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(5-cyanopyrazin-2-yl)amino]-N-phenyl-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide
PubChem CID42610297
Molecular FormulaC23H24N8O
Molecular Weight428.50 g/mol
Exact Mass428.21
IUPAC Name6-[(5-cyanopyrazin-2-yl)amino]-N-phenyl-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide
SMILESN#Cc1cnc(Nc2cc(NCC3CCNCC3)c(C(=O)Nc3ccccc3)cn2)cn1
InChIInChI=1S/C23H24N8O/c24-11-18-13-28-22(15-26-18)31-21-10-20(27-12-16-6-8-25-9-7-16)19(14-29-21)23(32)30-17-4-2-1-3-5-17/h1-5,10,13-16,25H,6-9,12H2,(H,30,32)(H2,27,28,29,31)
InChIKeyOHPLTMNJIZQXSC-UHFFFAOYSA-N
XLogP3.15
TPSA127.65 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

(2-((3-Methylbutyl)amino)-3-pyridinyl)(4-(phenylmethyl)-1-piperazinyl)methanone
CID 50922681
N-(4-(1-Cyanocyclopentyl)phenyl)-2-((4-pyridinylmethyl)amino)-3-pyridinecarboxamide
CID 11315474
6-cyclopropyl-N-[4-fluoro-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548285
6-cyclopropyl-N-[5-fluoro-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548376
4,N11-Diethyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
CID 453335
N11-Ethyl-2,3,N5-trimethyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
CID 453341
2-Cyclopropyl-5,7-dimethyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 463134
Dipyridodiazepinone deriv. 8
CID 463137
Dipyridodiazepinone deriv. 21
CID 463148
Dipyridodiazepinone deriv. 5
CID 463543
2-Ethyl-9-methyl-10-oxo-13-[2-(pyridin-4-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carbonitrile
CID 470747
2-ethyl-9-methyl-13-[(Z)-2-phenylethenyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 5327624

Frequently Asked Questions

What is the IUPAC name of 6-[(5-cyanopyrazin-2-yl)amino]-N-phenyl-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of 6-[(5-cyanopyrazin-2-yl)amino]-N-phenyl-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide (CID 42610297) is 6-[(5-cyanopyrazin-2-yl)amino]-N-phenyl-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(5-cyanopyrazin-2-yl)amino]-N-phenyl-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-[(5-cyanopyrazin-2-yl)amino]-N-phenyl-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide is N#Cc1cnc(Nc2cc(NCC3CCNCC3)c(C(=O)Nc3ccccc3)cn2)cn1.
What is the InChIKey of 6-[(5-cyanopyrazin-2-yl)amino]-N-phenyl-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is OHPLTMNJIZQXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O/c24-11-18-13-28-22(15-26-18)31-21-10-20(27-12-16-6-8-25-9-7-16)19(14-29-21)23(32)30-17-4-2-1-3-5-17/h1-5,10,13-16,25H,6-9,12H2,(H,30,32)(H2,27,28,29,31).
What are the key properties of 6-[(5-cyanopyrazin-2-yl)amino]-N-phenyl-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide?
6-[(5-cyanopyrazin-2-yl)amino]-N-phenyl-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 428.50 g/mol, XLogP of 3.15, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-cyanopyrazin-2-yl)amino]-N-phenyl-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 42610297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).