4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-(pyrazin-2-ylamino)pyridine-3-carboxamide

C21H21N9O — CID 46208355

IUPAC4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-(pyrazin-2-ylamino)pyridine-3-carboxamide
SMILESN#Cc1ccc(N2CCC(Nc3cc(Nc4cnccn4)ncc3C(N)=O)CC2)nc1
InChIInChI=1S/C21H21N9O/c22-10-14-1-2-20(27-11-14)30-7-3-15(4-8-30)28-17-9-18(26-12-16(17)21(23)31)29-19-13-24-5-6-25-19/h1-2,5-6,9,11-13,15H,3-4,7-8H2,(H2,23,31)(H2,25,26,28,29)
InChIKeyAHKJLHKIXKMIAD-UHFFFAOYSA-N
MW415.46 g/mol
LogP2.06
Rot. Bonds6

About 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-(pyrazin-2-ylamino)pyridine-3-carboxamide

4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-(pyrazin-2-ylamino)pyridine-3-carboxamide (PubChem CID 46208355) has the molecular formula C21H21N9O and a molecular weight of 415.46 g/mol. Its IUPAC name is 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-(pyrazin-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-(pyrazin-2-ylamino)pyridine-3-carboxamide
PubChem CID46208355
Molecular FormulaC21H21N9O
Molecular Weight415.46 g/mol
Exact Mass415.19
IUPAC Name4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-(pyrazin-2-ylamino)pyridine-3-carboxamide
SMILESN#Cc1ccc(N2CCC(Nc3cc(Nc4cnccn4)ncc3C(N)=O)CC2)nc1
InChIInChI=1S/C21H21N9O/c22-10-14-1-2-20(27-11-14)30-7-3-15(4-8-30)28-17-9-18(26-12-16(17)21(23)31)29-19-13-24-5-6-25-19/h1-2,5-6,9,11-13,15H,3-4,7-8H2,(H2,23,31)(H2,25,26,28,29)
InChIKeyAHKJLHKIXKMIAD-UHFFFAOYSA-N
XLogP2.06
TPSA145.74 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-(pyrazin-2-ylamino)pyridine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N11-Ethyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
CID 453308
N11-Cyclopropyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
CID 453309
N11-Cyclobutyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
CID 453310
N11-Isopropyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
CID 453313
4,N11-Diethyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
CID 453335
Dipyridodiazepinone deriv. 21
CID 463148
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-[(E)-2-(pyridin-4-yl)ethenyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 5327625
6-cyclopropyl-N-[2-(piperidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548252
PKC-iota inhibitor 1
CID 138377600
4-[[1-(5-Cyano-2-pyridinyl)piperidin-4-yl]amino]-6-(pyridin-2-ylamino)pyridine-3-carboxamide
CID 46208354
4-[[1-(5-Cyano-2-pyridinyl)piperidin-4-yl]amino]-6-(pyrimidin-4-ylamino)pyridine-3-carboxamide
CID 46208357

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-(pyrazin-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-(pyrazin-2-ylamino)pyridine-3-carboxamide (CID 46208355) is 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-(pyrazin-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-(pyrazin-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-(pyrazin-2-ylamino)pyridine-3-carboxamide is N#Cc1ccc(N2CCC(Nc3cc(Nc4cnccn4)ncc3C(N)=O)CC2)nc1.
What is the InChIKey of 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-(pyrazin-2-ylamino)pyridine-3-carboxamide?
The InChIKey is AHKJLHKIXKMIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N9O/c22-10-14-1-2-20(27-11-14)30-7-3-15(4-8-30)28-17-9-18(26-12-16(17)21(23)31)29-19-13-24-5-6-25-19/h1-2,5-6,9,11-13,15H,3-4,7-8H2,(H2,23,31)(H2,25,26,28,29).
What are the key properties of 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-(pyrazin-2-ylamino)pyridine-3-carboxamide?
4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-(pyrazin-2-ylamino)pyridine-3-carboxamide has a molecular weight of 415.46 g/mol, XLogP of 2.06, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-(pyrazin-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 46208355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).