2-amino-3-[[6-cyano-5-[(4,6-dimethyl-2-pyridinyl)amino]-3-pyridinyl]amino]-N-methylpropanamide

C17H21N7O — CID 89486875

IUPAC2-amino-3-[[6-cyano-5-[(4,6-dimethyl-2-pyridinyl)amino]-3-pyridinyl]amino]-N-methylpropanamide
SMILESCNC(=O)C(N)CNc1cnc(C#N)c(Nc2cc(C)cc(C)n2)c1
InChIInChI=1S/C17H21N7O/c1-10-4-11(2)23-16(5-10)24-14-6-12(8-22-15(14)7-18)21-9-13(19)17(25)20-3/h4-6,8,13,21H,9,19H2,1-3H3,(H,20,25)(H,23,24)
InChIKeyXHGCDFAKNXVKOL-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.19
Rot. Bonds6

About 2-amino-3-[[6-cyano-5-[(4,6-dimethyl-2-pyridinyl)amino]-3-pyridinyl]amino]-N-methylpropanamide

2-amino-3-[[6-cyano-5-[(4,6-dimethyl-2-pyridinyl)amino]-3-pyridinyl]amino]-N-methylpropanamide (PubChem CID 89486875) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-amino-3-[[6-cyano-5-[(4,6-dimethyl-2-pyridinyl)amino]-3-pyridinyl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-amino-3-[[6-cyano-5-[(4,6-dimethyl-2-pyridinyl)amino]-3-pyridinyl]amino]-N-methylpropanamide
PubChem CID89486875
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name2-amino-3-[[6-cyano-5-[(4,6-dimethyl-2-pyridinyl)amino]-3-pyridinyl]amino]-N-methylpropanamide
SMILESCNC(=O)C(N)CNc1cnc(C#N)c(Nc2cc(C)cc(C)n2)c1
InChIInChI=1S/C17H21N7O/c1-10-4-11(2)23-16(5-10)24-14-6-12(8-22-15(14)7-18)21-9-13(19)17(25)20-3/h4-6,8,13,21H,9,19H2,1-3H3,(H,20,25)(H,23,24)
InChIKeyXHGCDFAKNXVKOL-UHFFFAOYSA-N
XLogP1.19
TPSA128.75 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-amino-3-[[6-cyano-5-[(4,6-dimethyl-2-pyridinyl)amino]-3-pyridinyl]amino]-N-methylpropanamide with MolForge

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Launch Full Analysis

Related Compounds

[3-[[6-cyano-5-[(4,6-dimethyl-2-pyridinyl)amino]-3-pyridinyl]amino]-1-(methylamino)-1-oxopropan-2-yl]carbamic acid
CID 89486826
5-[[2-amino-3-(dimethylamino)-3-oxopropyl]amino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide
CID 90354146
5-(2-aminopropylamino)-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide
CID 71547341
2-[[6-cyano-5-[(4-methyl-6-pyridin-4-yl-2-pyridinyl)amino]-3-pyridinyl]amino]acetamide
CID 144722065
[(2S)-1-[[5-cyano-4-[(4,6-dimethyl-2-pyridinyl)amino]-2-pyridinyl]amino]propan-2-yl]carbamic acid
CID 89486705
5-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide
CID 78107274
5-[(1-amino-1-oxopropan-2-yl)amino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide
CID 71547914
[(1S,2R)-2-[[5-[(4-chloro-6-methyl-2-pyridinyl)amino]-6-cyano-3-pyridinyl]amino]cyclohexyl]carbamic acid
CID 90354468
3-[(4,6-dimethyl-2-pyridinyl)amino]-5-(piperidin-4-ylamino)pyridine-2-carboxamide
CID 90354419
(2S)-2-amino-N-(4,6-dimethyl-2-pyridinyl)-4-methylpentanamide
CID 10704927
(2R)-2-[[6-cyano-5-(isoquinolin-6-ylamino)-3-pyridinyl]amino]-4-methylpentanamide
CID 86716568
4-cyano-N-(4,6-dimethyl-2-pyridinyl)benzamide
CID 14593012

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[[6-cyano-5-[(4,6-dimethyl-2-pyridinyl)amino]-3-pyridinyl]amino]-N-methylpropanamide?
The IUPAC name of 2-amino-3-[[6-cyano-5-[(4,6-dimethyl-2-pyridinyl)amino]-3-pyridinyl]amino]-N-methylpropanamide (CID 89486875) is 2-amino-3-[[6-cyano-5-[(4,6-dimethyl-2-pyridinyl)amino]-3-pyridinyl]amino]-N-methylpropanamide.
What is the SMILES notation for 2-amino-3-[[6-cyano-5-[(4,6-dimethyl-2-pyridinyl)amino]-3-pyridinyl]amino]-N-methylpropanamide?
The canonical SMILES for 2-amino-3-[[6-cyano-5-[(4,6-dimethyl-2-pyridinyl)amino]-3-pyridinyl]amino]-N-methylpropanamide is CNC(=O)C(N)CNc1cnc(C#N)c(Nc2cc(C)cc(C)n2)c1.
What is the InChIKey of 2-amino-3-[[6-cyano-5-[(4,6-dimethyl-2-pyridinyl)amino]-3-pyridinyl]amino]-N-methylpropanamide?
The InChIKey is XHGCDFAKNXVKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c1-10-4-11(2)23-16(5-10)24-14-6-12(8-22-15(14)7-18)21-9-13(19)17(25)20-3/h4-6,8,13,21H,9,19H2,1-3H3,(H,20,25)(H,23,24).
What are the key properties of 2-amino-3-[[6-cyano-5-[(4,6-dimethyl-2-pyridinyl)amino]-3-pyridinyl]amino]-N-methylpropanamide?
2-amino-3-[[6-cyano-5-[(4,6-dimethyl-2-pyridinyl)amino]-3-pyridinyl]amino]-N-methylpropanamide has a molecular weight of 339.40 g/mol, XLogP of 1.19, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[[6-cyano-5-[(4,6-dimethyl-2-pyridinyl)amino]-3-pyridinyl]amino]-N-methylpropanamide is sourced from PubChem (CID 89486875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).