(2S)-2-[(5-cyano-4,6-dimethyl-2-pyridinyl)amino]-3-(1H-imidazol-5-yl)propanamide

C14H16N6O — CID 162629527

IUPAC(2S)-2-[(5-cyano-4,6-dimethyl-2-pyridinyl)amino]-3-(1H-imidazol-5-yl)propanamide
SMILESCc1cc(N[C@@H](Cc2cnc[nH]2)C(N)=O)nc(C)c1C#N
InChIInChI=1S/C14H16N6O/c1-8-3-13(19-9(2)11(8)5-15)20-12(14(16)21)4-10-6-17-7-18-10/h3,6-7,12H,4H2,1-2H3,(H2,16,21)(H,17,18)(H,19,20)/t12-/m0/s1
InChIKeySXZNVCQKNLEZCL-LBPRGKRZSA-N
MW284.32 g/mol
LogP0.80
Rot. Bonds5

About (2S)-2-[(5-cyano-4,6-dimethyl-2-pyridinyl)amino]-3-(1H-imidazol-5-yl)propanamide

(2S)-2-[(5-cyano-4,6-dimethyl-2-pyridinyl)amino]-3-(1H-imidazol-5-yl)propanamide (PubChem CID 162629527) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is (2S)-2-[(5-cyano-4,6-dimethyl-2-pyridinyl)amino]-3-(1H-imidazol-5-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(5-cyano-4,6-dimethyl-2-pyridinyl)amino]-3-(1H-imidazol-5-yl)propanamide
PubChem CID162629527
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name(2S)-2-[(5-cyano-4,6-dimethyl-2-pyridinyl)amino]-3-(1H-imidazol-5-yl)propanamide
SMILESCc1cc(N[C@@H](Cc2cnc[nH]2)C(N)=O)nc(C)c1C#N
InChIInChI=1S/C14H16N6O/c1-8-3-13(19-9(2)11(8)5-15)20-12(14(16)21)4-10-6-17-7-18-10/h3,6-7,12H,4H2,1-2H3,(H2,16,21)(H,17,18)(H,19,20)/t12-/m0/s1
InChIKeySXZNVCQKNLEZCL-LBPRGKRZSA-N
XLogP0.80
TPSA120.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-hydrazinyl-3-(1H-imidazol-5-yl)propanamide
CID 18651854
(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-(methylamino)propanoyl]amino]propanamide
CID 58213399
(2R)-2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanamide
CID 92523863
[3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]carbamic acid
CID 19939260
ethyl (2R)-3-(1H-imidazol-5-yl)-2-(methylamino)propanoate
CID 130225450
N-[(2S)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-4-methylpentanamide
CID 70890007
methyl (2S)-3-(1H-imidazol-5-yl)-2-(methylamino)propanoate
CID 7020801
methyl 4-[(5-cyano-4,6-dimethyl-2-pyridinyl)amino]-4-oxobutanoate
CID 123856199
tert-butyl N-[(2S)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamate
CID 18645442
methyl (2S)-2-(cyanomethylsulfonylamino)-3-(1H-imidazol-5-yl)propanoate
CID 114011823
[[(2S)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]methylphosphonic acid
CID 46931287
(2S)-2-[(2-cyanoacetyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 11379048

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-cyano-4,6-dimethyl-2-pyridinyl)amino]-3-(1H-imidazol-5-yl)propanamide?
The IUPAC name of (2S)-2-[(5-cyano-4,6-dimethyl-2-pyridinyl)amino]-3-(1H-imidazol-5-yl)propanamide (CID 162629527) is (2S)-2-[(5-cyano-4,6-dimethyl-2-pyridinyl)amino]-3-(1H-imidazol-5-yl)propanamide.
What is the SMILES notation for (2S)-2-[(5-cyano-4,6-dimethyl-2-pyridinyl)amino]-3-(1H-imidazol-5-yl)propanamide?
The canonical SMILES for (2S)-2-[(5-cyano-4,6-dimethyl-2-pyridinyl)amino]-3-(1H-imidazol-5-yl)propanamide is Cc1cc(N[C@@H](Cc2cnc[nH]2)C(N)=O)nc(C)c1C#N.
What is the InChIKey of (2S)-2-[(5-cyano-4,6-dimethyl-2-pyridinyl)amino]-3-(1H-imidazol-5-yl)propanamide?
The InChIKey is SXZNVCQKNLEZCL-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H16N6O/c1-8-3-13(19-9(2)11(8)5-15)20-12(14(16)21)4-10-6-17-7-18-10/h3,6-7,12H,4H2,1-2H3,(H2,16,21)(H,17,18)(H,19,20)/t12-/m0/s1.
What are the key properties of (2S)-2-[(5-cyano-4,6-dimethyl-2-pyridinyl)amino]-3-(1H-imidazol-5-yl)propanamide?
(2S)-2-[(5-cyano-4,6-dimethyl-2-pyridinyl)amino]-3-(1H-imidazol-5-yl)propanamide has a molecular weight of 284.32 g/mol, XLogP of 0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-cyano-4,6-dimethyl-2-pyridinyl)amino]-3-(1H-imidazol-5-yl)propanamide is sourced from PubChem (CID 162629527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).