(2R)-2-(carbamoylamino)-N-(6-imidazol-1-yl-3-pyridinyl)-4-methylsulfanylbutanamide

C14H18N6O2S — CID 95300199

IUPAC(2R)-2-(carbamoylamino)-N-(6-imidazol-1-yl-3-pyridinyl)-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](NC(N)=O)C(=O)Nc1ccc(-n2ccnc2)nc1
InChIInChI=1S/C14H18N6O2S/c1-23-7-4-11(19-14(15)22)13(21)18-10-2-3-12(17-8-10)20-6-5-16-9-20/h2-3,5-6,8-9,11H,4,7H2,1H3,(H,18,21)(H3,15,19,22)/t11-/m1/s1
InChIKeyQZLWAUNXRRLNGY-LLVKDONJSA-N
MW334.41 g/mol
LogP1.00
Rot. Bonds7

About (2R)-2-(carbamoylamino)-N-(6-imidazol-1-yl-3-pyridinyl)-4-methylsulfanylbutanamide

(2R)-2-(carbamoylamino)-N-(6-imidazol-1-yl-3-pyridinyl)-4-methylsulfanylbutanamide (PubChem CID 95300199) has the molecular formula C14H18N6O2S and a molecular weight of 334.41 g/mol. Its IUPAC name is (2R)-2-(carbamoylamino)-N-(6-imidazol-1-yl-3-pyridinyl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2R)-2-(carbamoylamino)-N-(6-imidazol-1-yl-3-pyridinyl)-4-methylsulfanylbutanamide
PubChem CID95300199
Molecular FormulaC14H18N6O2S
Molecular Weight334.41 g/mol
Exact Mass334.12
IUPAC Name(2R)-2-(carbamoylamino)-N-(6-imidazol-1-yl-3-pyridinyl)-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](NC(N)=O)C(=O)Nc1ccc(-n2ccnc2)nc1
InChIInChI=1S/C14H18N6O2S/c1-23-7-4-11(19-14(15)22)13(21)18-10-2-3-12(17-8-10)20-6-5-16-9-20/h2-3,5-6,8-9,11H,4,7H2,1H3,(H,18,21)(H3,15,19,22)/t11-/m1/s1
InChIKeyQZLWAUNXRRLNGY-LLVKDONJSA-N
XLogP1.00
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-imidazol-1-yl-3-pyridinyl)-2-methylpropanamide
CID 35437698
2-(aminomethyl)-N-(6-imidazol-1-yl-3-pyridinyl)pentanamide
CID 65225245
(2R)-2-(carbamoylamino)-N-(4-ethylphenyl)-4-methylsulfanylbutanamide
CID 9213493
(2S)-2-(carbamoylamino)-N-(4-methylphenyl)-4-methylsulfanylbutanamide
CID 2455996
2-bromo-N-(6-imidazol-1-yl-3-pyridinyl)butanamide
CID 62855029
2-amino-N-(6-imidazol-1-yl-3-pyridinyl)-3-methoxypropanamide
CID 81082774
(2R)-2-(carbamoylamino)-N-(3,4-dimethylphenyl)-4-methylsulfanylbutanamide
CID 9416153
N-(6-imidazol-1-yl-3-pyridinyl)butanamide
CID 35437719
ethyl 2-[(6-imidazol-1-yl-3-pyridinyl)amino]-2-oxoacetate
CID 90564814
(2S)-2-(carbamoylamino)-N-(3,5-dimethoxyphenyl)-4-methylsulfanylbutanamide
CID 9453760
6-imidazol-1-yl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide
CID 23594782
2-[4-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]pyrazol-1-yl]acetic acid
CID 61018102

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(carbamoylamino)-N-(6-imidazol-1-yl-3-pyridinyl)-4-methylsulfanylbutanamide?
The IUPAC name of (2R)-2-(carbamoylamino)-N-(6-imidazol-1-yl-3-pyridinyl)-4-methylsulfanylbutanamide (CID 95300199) is (2R)-2-(carbamoylamino)-N-(6-imidazol-1-yl-3-pyridinyl)-4-methylsulfanylbutanamide.
What is the SMILES notation for (2R)-2-(carbamoylamino)-N-(6-imidazol-1-yl-3-pyridinyl)-4-methylsulfanylbutanamide?
The canonical SMILES for (2R)-2-(carbamoylamino)-N-(6-imidazol-1-yl-3-pyridinyl)-4-methylsulfanylbutanamide is CSCC[C@@H](NC(N)=O)C(=O)Nc1ccc(-n2ccnc2)nc1.
What is the InChIKey of (2R)-2-(carbamoylamino)-N-(6-imidazol-1-yl-3-pyridinyl)-4-methylsulfanylbutanamide?
The InChIKey is QZLWAUNXRRLNGY-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18N6O2S/c1-23-7-4-11(19-14(15)22)13(21)18-10-2-3-12(17-8-10)20-6-5-16-9-20/h2-3,5-6,8-9,11H,4,7H2,1H3,(H,18,21)(H3,15,19,22)/t11-/m1/s1.
What are the key properties of (2R)-2-(carbamoylamino)-N-(6-imidazol-1-yl-3-pyridinyl)-4-methylsulfanylbutanamide?
(2R)-2-(carbamoylamino)-N-(6-imidazol-1-yl-3-pyridinyl)-4-methylsulfanylbutanamide has a molecular weight of 334.41 g/mol, XLogP of 1.00, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(carbamoylamino)-N-(6-imidazol-1-yl-3-pyridinyl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 95300199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).