(2R)-3-methyl-N-(1-methylpyrazol-3-yl)-2-(phenylcarbamoylamino)butanamide

C16H21N5O2 — CID 95322287

IUPAC(2R)-3-methyl-N-(1-methylpyrazol-3-yl)-2-(phenylcarbamoylamino)butanamide
SMILESCC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccn(C)n1
InChIInChI=1S/C16H21N5O2/c1-11(2)14(15(22)18-13-9-10-21(3)20-13)19-16(23)17-12-7-5-4-6-8-12/h4-11,14H,1-3H3,(H2,17,19,23)(H,18,20,22)/t14-/m1/s1
InChIKeyWNLRKPQQDWDRRW-CQSZACIVSA-N
MW315.38 g/mol
LogP2.20
Rot. Bonds5

About (2R)-3-methyl-N-(1-methylpyrazol-3-yl)-2-(phenylcarbamoylamino)butanamide

(2R)-3-methyl-N-(1-methylpyrazol-3-yl)-2-(phenylcarbamoylamino)butanamide (PubChem CID 95322287) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is (2R)-3-methyl-N-(1-methylpyrazol-3-yl)-2-(phenylcarbamoylamino)butanamide.

Molecular Properties

Compound Name(2R)-3-methyl-N-(1-methylpyrazol-3-yl)-2-(phenylcarbamoylamino)butanamide
PubChem CID95322287
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name(2R)-3-methyl-N-(1-methylpyrazol-3-yl)-2-(phenylcarbamoylamino)butanamide
SMILESCC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccn(C)n1
InChIInChI=1S/C16H21N5O2/c1-11(2)14(15(22)18-13-9-10-21(3)20-13)19-16(23)17-12-7-5-4-6-8-12/h4-11,14H,1-3H3,(H2,17,19,23)(H,18,20,22)/t14-/m1/s1
InChIKeyWNLRKPQQDWDRRW-CQSZACIVSA-N
XLogP2.20
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[3-methyl-1-[(1-methylpyrazol-3-yl)amino]-1-oxobutan-2-yl]benzamide
CID 51237886
3-methyl-N-[4-(2-methylpropanoylamino)phenyl]-2-(phenylcarbamoylamino)butanamide
CID 78773473
N-[3-methyl-1-[(1-methylpyrazol-3-yl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 45351737
N-(4-fluorophenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 17462903
N-(3,5-difluorophenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 134061504
2-bromo-3-methyl-N-(1-methylpyrazol-3-yl)butanamide
CID 60810457
(2R)-2-amino-N-(1-methylpyrazol-3-yl)propanamide
CID 78971987
N-(1-amino-1-oxopropan-2-yl)-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 134045604
N-[(2-chlorophenyl)methyl]-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 46643344
(2R)-N-[(2-fluorophenyl)methyl]-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 26002082
(2R)-2-[(1-methylpyrazol-3-yl)carbamoylamino]-3-phenylpropanoic acid
CID 104902353
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 86925821

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-N-(1-methylpyrazol-3-yl)-2-(phenylcarbamoylamino)butanamide?
The IUPAC name of (2R)-3-methyl-N-(1-methylpyrazol-3-yl)-2-(phenylcarbamoylamino)butanamide (CID 95322287) is (2R)-3-methyl-N-(1-methylpyrazol-3-yl)-2-(phenylcarbamoylamino)butanamide.
What is the SMILES notation for (2R)-3-methyl-N-(1-methylpyrazol-3-yl)-2-(phenylcarbamoylamino)butanamide?
The canonical SMILES for (2R)-3-methyl-N-(1-methylpyrazol-3-yl)-2-(phenylcarbamoylamino)butanamide is CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccn(C)n1.
What is the InChIKey of (2R)-3-methyl-N-(1-methylpyrazol-3-yl)-2-(phenylcarbamoylamino)butanamide?
The InChIKey is WNLRKPQQDWDRRW-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-11(2)14(15(22)18-13-9-10-21(3)20-13)19-16(23)17-12-7-5-4-6-8-12/h4-11,14H,1-3H3,(H2,17,19,23)(H,18,20,22)/t14-/m1/s1.
What are the key properties of (2R)-3-methyl-N-(1-methylpyrazol-3-yl)-2-(phenylcarbamoylamino)butanamide?
(2R)-3-methyl-N-(1-methylpyrazol-3-yl)-2-(phenylcarbamoylamino)butanamide has a molecular weight of 315.38 g/mol, XLogP of 2.20, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-N-(1-methylpyrazol-3-yl)-2-(phenylcarbamoylamino)butanamide is sourced from PubChem (CID 95322287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).