[(2S)-1-[[5-cyano-4-[(4,6-dimethyl-2-pyridinyl)amino]-2-pyridinyl]amino]propan-2-yl]carbamic acid

C17H20N6O2 — CID 89486705

IUPAC[(2S)-1-[[5-cyano-4-[(4,6-dimethyl-2-pyridinyl)amino]-2-pyridinyl]amino]propan-2-yl]carbamic acid
SMILESCc1cc(C)nc(Nc2cc(NC[C@H](C)NC(=O)O)ncc2C#N)c1
InChIInChI=1S/C17H20N6O2/c1-10-4-11(2)21-16(5-10)23-14-6-15(20-9-13(14)7-18)19-8-12(3)22-17(24)25/h4-6,9,12,22H,8H2,1-3H3,(H,24,25)(H2,19,20,21,23)/t12-/m0/s1
InChIKeyKKFJANGNVQSROE-LBPRGKRZSA-N
MW340.39 g/mol
LogP2.78
Rot. Bonds6

About [(2S)-1-[[5-cyano-4-[(4,6-dimethyl-2-pyridinyl)amino]-2-pyridinyl]amino]propan-2-yl]carbamic acid

[(2S)-1-[[5-cyano-4-[(4,6-dimethyl-2-pyridinyl)amino]-2-pyridinyl]amino]propan-2-yl]carbamic acid (PubChem CID 89486705) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is [(2S)-1-[[5-cyano-4-[(4,6-dimethyl-2-pyridinyl)amino]-2-pyridinyl]amino]propan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S)-1-[[5-cyano-4-[(4,6-dimethyl-2-pyridinyl)amino]-2-pyridinyl]amino]propan-2-yl]carbamic acid
PubChem CID89486705
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name[(2S)-1-[[5-cyano-4-[(4,6-dimethyl-2-pyridinyl)amino]-2-pyridinyl]amino]propan-2-yl]carbamic acid
SMILESCc1cc(C)nc(Nc2cc(NC[C@H](C)NC(=O)O)ncc2C#N)c1
InChIInChI=1S/C17H20N6O2/c1-10-4-11(2)21-16(5-10)23-14-6-15(20-9-13(14)7-18)19-8-12(3)22-17(24)25/h4-6,9,12,22H,8H2,1-3H3,(H,24,25)(H2,19,20,21,23)/t12-/m0/s1
InChIKeyKKFJANGNVQSROE-LBPRGKRZSA-N
XLogP2.78
TPSA122.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 52.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze [(2S)-1-[[5-cyano-4-[(4,6-dimethyl-2-pyridinyl)amino]-2-pyridinyl]amino]propan-2-yl]carbamic acid 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
2-amino-3-[[6-cyano-5-[(4,6-dimethyl-2-pyridinyl)amino]-3-pyridinyl]amino]-N-methylpropanamide
CID 89486875
5-(2-aminopropylamino)-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide
CID 71547341
5-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide
CID 78107274
5-[[2-amino-3-(dimethylamino)-3-oxopropyl]amino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide
CID 90354146
5-[(1-amino-1-oxopropan-2-yl)amino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide
CID 71547914
4-cyano-N-(4,6-dimethyl-2-pyridinyl)benzamide
CID 14593012
N-(4,6-dimethyl-2-pyridinyl)-2-(ethylamino)pyridine-4-carboxamide
CID 115750707
2-(butan-2-ylamino)-N-(4,6-dimethyl-2-pyridinyl)acetamide
CID 114932408
(2S)-2-amino-N-(4,6-dimethyl-2-pyridinyl)-4-methylpentanamide
CID 10704927
2-[[2-(butan-2-ylamino)-6-methylpyrimidin-4-yl]amino]benzonitrile
CID 112909221
N-(4,6-dimethyl-2-pyridinyl)-3-pyrrol-1-ylbutanamide
CID 174332471

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[[5-cyano-4-[(4,6-dimethyl-2-pyridinyl)amino]-2-pyridinyl]amino]propan-2-yl]carbamic acid?
The IUPAC name of [(2S)-1-[[5-cyano-4-[(4,6-dimethyl-2-pyridinyl)amino]-2-pyridinyl]amino]propan-2-yl]carbamic acid (CID 89486705) is [(2S)-1-[[5-cyano-4-[(4,6-dimethyl-2-pyridinyl)amino]-2-pyridinyl]amino]propan-2-yl]carbamic acid.
What is the SMILES notation for [(2S)-1-[[5-cyano-4-[(4,6-dimethyl-2-pyridinyl)amino]-2-pyridinyl]amino]propan-2-yl]carbamic acid?
The canonical SMILES for [(2S)-1-[[5-cyano-4-[(4,6-dimethyl-2-pyridinyl)amino]-2-pyridinyl]amino]propan-2-yl]carbamic acid is Cc1cc(C)nc(Nc2cc(NC[C@H](C)NC(=O)O)ncc2C#N)c1.
What is the InChIKey of [(2S)-1-[[5-cyano-4-[(4,6-dimethyl-2-pyridinyl)amino]-2-pyridinyl]amino]propan-2-yl]carbamic acid?
The InChIKey is KKFJANGNVQSROE-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-10-4-11(2)21-16(5-10)23-14-6-15(20-9-13(14)7-18)19-8-12(3)22-17(24)25/h4-6,9,12,22H,8H2,1-3H3,(H,24,25)(H2,19,20,21,23)/t12-/m0/s1.
What are the key properties of [(2S)-1-[[5-cyano-4-[(4,6-dimethyl-2-pyridinyl)amino]-2-pyridinyl]amino]propan-2-yl]carbamic acid?
[(2S)-1-[[5-cyano-4-[(4,6-dimethyl-2-pyridinyl)amino]-2-pyridinyl]amino]propan-2-yl]carbamic acid has a molecular weight of 340.39 g/mol, XLogP of 2.78, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[[5-cyano-4-[(4,6-dimethyl-2-pyridinyl)amino]-2-pyridinyl]amino]propan-2-yl]carbamic acid is sourced from PubChem (CID 89486705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).