(2R)-2-[[6-cyano-5-(isoquinolin-6-ylamino)-3-pyridinyl]amino]-4-methylpentanamide

C21H22N6O — CID 86716568

IUPAC(2R)-2-[[6-cyano-5-(isoquinolin-6-ylamino)-3-pyridinyl]amino]-4-methylpentanamide
SMILESCC(C)C[C@@H](Nc1cnc(C#N)c(Nc2ccc3cnccc3c2)c1)C(N)=O
InChIInChI=1S/C21H22N6O/c1-13(2)7-19(21(23)28)27-17-9-18(20(10-22)25-12-17)26-16-4-3-15-11-24-6-5-14(15)8-16/h3-6,8-9,11-13,19,26-27H,7H2,1-2H3,(H2,23,28)/t19-/m1/s1
InChIKeyIXOAVDKPOZZQQO-LJQANCHMSA-N
MW374.45 g/mol
LogP3.56
Rot. Bonds7

About (2R)-2-[[6-cyano-5-(isoquinolin-6-ylamino)-3-pyridinyl]amino]-4-methylpentanamide

(2R)-2-[[6-cyano-5-(isoquinolin-6-ylamino)-3-pyridinyl]amino]-4-methylpentanamide (PubChem CID 86716568) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is (2R)-2-[[6-cyano-5-(isoquinolin-6-ylamino)-3-pyridinyl]amino]-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-[[6-cyano-5-(isoquinolin-6-ylamino)-3-pyridinyl]amino]-4-methylpentanamide
PubChem CID86716568
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name(2R)-2-[[6-cyano-5-(isoquinolin-6-ylamino)-3-pyridinyl]amino]-4-methylpentanamide
SMILESCC(C)C[C@@H](Nc1cnc(C#N)c(Nc2ccc3cnccc3c2)c1)C(N)=O
InChIInChI=1S/C21H22N6O/c1-13(2)7-19(21(23)28)27-17-9-18(20(10-22)25-12-17)26-16-4-3-15-11-24-6-5-14(15)8-16/h3-6,8-9,11-13,19,26-27H,7H2,1-2H3,(H2,23,28)/t19-/m1/s1
InChIKeyIXOAVDKPOZZQQO-LJQANCHMSA-N
XLogP3.56
TPSA116.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[[6-cyano-5-(isoquinolin-6-ylamino)-3-pyridinyl]amino]-4-methylpentanamide with MolForge

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Related Compounds

5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-(isoquinolin-7-ylamino)pyridine-2-carbonitrile
CID 86716565
5-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide
CID 78107274
(2S)-2-[[3,4-dioxo-2-(pyridin-4-ylamino)cyclobuten-1-yl]amino]-4-methylpentanamide
CID 87660225
2-(isoquinolin-6-ylmethylamino)-4-methylpentanoic acid
CID 107038218
5-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-(3-pyridin-4-ylanilino)pyrazine-2-carboxamide
CID 71572165
2-[[6-cyano-5-[(4-methyl-6-pyridin-4-yl-2-pyridinyl)amino]-3-pyridinyl]amino]acetamide
CID 144722065
ethane;1-[3-(isoquinolin-6-ylamino)furo[2,3-c]pyridin-2-yl]-2-methylbutan-1-one;propane
CID 143422123
2-isoquinolin-6-ylpropanamide
CID 66599621
ethyl N-isoquinolin-6-ylcarbamate
CID 22674074
N-isoquinolin-6-ylpropanamide;dihydrochloride
CID 66599624
3-[(6-cyano-3-pyridinyl)amino]butanamide
CID 115685029
3-amino-N-isoquinolin-6-ylpropanamide;ethane
CID 153349000

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[6-cyano-5-(isoquinolin-6-ylamino)-3-pyridinyl]amino]-4-methylpentanamide?
The IUPAC name of (2R)-2-[[6-cyano-5-(isoquinolin-6-ylamino)-3-pyridinyl]amino]-4-methylpentanamide (CID 86716568) is (2R)-2-[[6-cyano-5-(isoquinolin-6-ylamino)-3-pyridinyl]amino]-4-methylpentanamide.
What is the SMILES notation for (2R)-2-[[6-cyano-5-(isoquinolin-6-ylamino)-3-pyridinyl]amino]-4-methylpentanamide?
The canonical SMILES for (2R)-2-[[6-cyano-5-(isoquinolin-6-ylamino)-3-pyridinyl]amino]-4-methylpentanamide is CC(C)C[C@@H](Nc1cnc(C#N)c(Nc2ccc3cnccc3c2)c1)C(N)=O.
What is the InChIKey of (2R)-2-[[6-cyano-5-(isoquinolin-6-ylamino)-3-pyridinyl]amino]-4-methylpentanamide?
The InChIKey is IXOAVDKPOZZQQO-LJQANCHMSA-N. The full InChI is InChI=1S/C21H22N6O/c1-13(2)7-19(21(23)28)27-17-9-18(20(10-22)25-12-17)26-16-4-3-15-11-24-6-5-14(15)8-16/h3-6,8-9,11-13,19,26-27H,7H2,1-2H3,(H2,23,28)/t19-/m1/s1.
What are the key properties of (2R)-2-[[6-cyano-5-(isoquinolin-6-ylamino)-3-pyridinyl]amino]-4-methylpentanamide?
(2R)-2-[[6-cyano-5-(isoquinolin-6-ylamino)-3-pyridinyl]amino]-4-methylpentanamide has a molecular weight of 374.45 g/mol, XLogP of 3.56, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[6-cyano-5-(isoquinolin-6-ylamino)-3-pyridinyl]amino]-4-methylpentanamide is sourced from PubChem (CID 86716568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).