(3S)-3-(carbamoylamino)-N-[6-(dimethylamino)-3-pyridinyl]-3-phenylpropanamide

C17H21N5O2 — CID 94017927

IUPAC(3S)-3-(carbamoylamino)-N-[6-(dimethylamino)-3-pyridinyl]-3-phenylpropanamide
SMILESCN(C)c1ccc(NC(=O)C[C@H](NC(N)=O)c2ccccc2)cn1
InChIInChI=1S/C17H21N5O2/c1-22(2)15-9-8-13(11-19-15)20-16(23)10-14(21-17(18)24)12-6-4-3-5-7-12/h3-9,11,14H,10H2,1-2H3,(H,20,23)(H3,18,21,24)/t14-/m0/s1
InChIKeyXZFBCCJQNSBYKE-AWEZNQCLSA-N
MW327.39 g/mol
LogP1.89
Rot. Bonds6

About (3S)-3-(carbamoylamino)-N-[6-(dimethylamino)-3-pyridinyl]-3-phenylpropanamide

(3S)-3-(carbamoylamino)-N-[6-(dimethylamino)-3-pyridinyl]-3-phenylpropanamide (PubChem CID 94017927) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is (3S)-3-(carbamoylamino)-N-[6-(dimethylamino)-3-pyridinyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(3S)-3-(carbamoylamino)-N-[6-(dimethylamino)-3-pyridinyl]-3-phenylpropanamide
PubChem CID94017927
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name(3S)-3-(carbamoylamino)-N-[6-(dimethylamino)-3-pyridinyl]-3-phenylpropanamide
SMILESCN(C)c1ccc(NC(=O)C[C@H](NC(N)=O)c2ccccc2)cn1
InChIInChI=1S/C17H21N5O2/c1-22(2)15-9-8-13(11-19-15)20-16(23)10-14(21-17(18)24)12-6-4-3-5-7-12/h3-9,11,14H,10H2,1-2H3,(H,20,23)(H3,18,21,24)/t14-/m0/s1
InChIKeyXZFBCCJQNSBYKE-AWEZNQCLSA-N
XLogP1.89
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3S)-3-(carbamoylamino)-N-[6-(dimethylamino)-3-pyridinyl]-3-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(carbamoylamino)-N-(4-ethylphenyl)-3-phenylpropanamide
CID 24605702
3-amino-N-[6-(dimethylamino)-3-pyridinyl]-2-phenylpropanamide
CID 62876785
3-(3-bromophenyl)-3-(carbamoylamino)-N-(6-methoxy-3-pyridinyl)propanamide
CID 24635207
N-(6-anilino-3-pyridinyl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide
CID 146152381
N-[6-(dimethylamino)-3-pyridinyl]-3-(ethylamino)butanamide
CID 62838640
N-[(1S)-3-[(6-methoxy-3-pyridinyl)amino]-3-oxo-1-phenylpropyl]benzamide
CID 9210815
N-[3-[4-(carbamoylamino)anilino]-3-oxo-1-phenylpropyl]benzamide
CID 55527938
3-acetamido-3-phenyl-N-(2-phenylpyrimidin-5-yl)propanamide
CID 134009235
2-N,2-N-dimethyl-5-N-(1-phenylbutyl)pyridine-2,5-diamine
CID 43690418
(3R)-3-(carbamoylamino)-N-methyl-3-phenyl-N-[(1R)-1-phenylethyl]propanamide
CID 41327189
2-amino-N-[2-[[6-(dimethylamino)-3-pyridinyl]amino]-2-oxoethyl]acetamide
CID 54928218
4-chloro-N-[6-(dimethylamino)-3-pyridinyl]butanamide
CID 63308097

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(carbamoylamino)-N-[6-(dimethylamino)-3-pyridinyl]-3-phenylpropanamide?
The IUPAC name of (3S)-3-(carbamoylamino)-N-[6-(dimethylamino)-3-pyridinyl]-3-phenylpropanamide (CID 94017927) is (3S)-3-(carbamoylamino)-N-[6-(dimethylamino)-3-pyridinyl]-3-phenylpropanamide.
What is the SMILES notation for (3S)-3-(carbamoylamino)-N-[6-(dimethylamino)-3-pyridinyl]-3-phenylpropanamide?
The canonical SMILES for (3S)-3-(carbamoylamino)-N-[6-(dimethylamino)-3-pyridinyl]-3-phenylpropanamide is CN(C)c1ccc(NC(=O)C[C@H](NC(N)=O)c2ccccc2)cn1.
What is the InChIKey of (3S)-3-(carbamoylamino)-N-[6-(dimethylamino)-3-pyridinyl]-3-phenylpropanamide?
The InChIKey is XZFBCCJQNSBYKE-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-22(2)15-9-8-13(11-19-15)20-16(23)10-14(21-17(18)24)12-6-4-3-5-7-12/h3-9,11,14H,10H2,1-2H3,(H,20,23)(H3,18,21,24)/t14-/m0/s1.
What are the key properties of (3S)-3-(carbamoylamino)-N-[6-(dimethylamino)-3-pyridinyl]-3-phenylpropanamide?
(3S)-3-(carbamoylamino)-N-[6-(dimethylamino)-3-pyridinyl]-3-phenylpropanamide has a molecular weight of 327.39 g/mol, XLogP of 1.89, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(carbamoylamino)-N-[6-(dimethylamino)-3-pyridinyl]-3-phenylpropanamide is sourced from PubChem (CID 94017927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).