N-[(1S)-3-[(6-methoxy-3-pyridinyl)amino]-3-oxo-1-phenylpropyl]benzamide

C22H21N3O3 — CID 9210815

IUPACN-[(1S)-3-[(6-methoxy-3-pyridinyl)amino]-3-oxo-1-phenylpropyl]benzamide
SMILESCOc1ccc(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C22H21N3O3/c1-28-21-13-12-18(15-23-21)24-20(26)14-19(16-8-4-2-5-9-16)25-22(27)17-10-6-3-7-11-17/h2-13,15,19H,14H2,1H3,(H,24,26)(H,25,27)/t19-/m0/s1
InChIKeyHSADUZFEROUFBK-IBGZPJMESA-N
MW375.43 g/mol
LogP3.59
Rot. Bonds7

About N-[(1S)-3-[(6-methoxy-3-pyridinyl)amino]-3-oxo-1-phenylpropyl]benzamide

N-[(1S)-3-[(6-methoxy-3-pyridinyl)amino]-3-oxo-1-phenylpropyl]benzamide (PubChem CID 9210815) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[(1S)-3-[(6-methoxy-3-pyridinyl)amino]-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-3-[(6-methoxy-3-pyridinyl)amino]-3-oxo-1-phenylpropyl]benzamide
PubChem CID9210815
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-[(1S)-3-[(6-methoxy-3-pyridinyl)amino]-3-oxo-1-phenylpropyl]benzamide
SMILESCOc1ccc(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C22H21N3O3/c1-28-21-13-12-18(15-23-21)24-20(26)14-19(16-8-4-2-5-9-16)25-22(27)17-10-6-3-7-11-17/h2-13,15,19H,14H2,1H3,(H,24,26)(H,25,27)/t19-/m0/s1
InChIKeyHSADUZFEROUFBK-IBGZPJMESA-N
XLogP3.59
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-3-(4-methylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 7899822
4-[(3-benzamido-3-phenylpropanoyl)amino]-N-methylbenzamide
CID 55333107
N-[3-[4-(carbamoylamino)anilino]-3-oxo-1-phenylpropyl]benzamide
CID 55527938
3-(3-bromophenyl)-3-(carbamoylamino)-N-(6-methoxy-3-pyridinyl)propanamide
CID 24635207
N-[(1S)-3-(3-acetylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 2464081
N-[3-oxo-1-phenyl-3-(pyridin-2-ylamino)propyl]benzamide
CID 134014968
N-(6-methoxy-3-pyridinyl)-2-phenylsulfanylacetamide
CID 2486887
1-(6-methoxy-3-pyridinyl)-3-(1-phenylethyl)urea
CID 47139416
N-[(1S)-3-(2,6-dimethylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 51870095
N-[(1R)-3-(2-methylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 7946567
methyl 4-[[2-[(3R)-3-benzamido-3-phenylpropanoyl]oxyacetyl]amino]benzoate
CID 29170764
N-[3-oxo-1-phenyl-3-[3-(pyridin-2-ylmethoxy)anilino]propyl]benzamide
CID 46460902

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-[(6-methoxy-3-pyridinyl)amino]-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of N-[(1S)-3-[(6-methoxy-3-pyridinyl)amino]-3-oxo-1-phenylpropyl]benzamide (CID 9210815) is N-[(1S)-3-[(6-methoxy-3-pyridinyl)amino]-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for N-[(1S)-3-[(6-methoxy-3-pyridinyl)amino]-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for N-[(1S)-3-[(6-methoxy-3-pyridinyl)amino]-3-oxo-1-phenylpropyl]benzamide is COc1ccc(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cn1.
What is the InChIKey of N-[(1S)-3-[(6-methoxy-3-pyridinyl)amino]-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is HSADUZFEROUFBK-IBGZPJMESA-N. The full InChI is InChI=1S/C22H21N3O3/c1-28-21-13-12-18(15-23-21)24-20(26)14-19(16-8-4-2-5-9-16)25-22(27)17-10-6-3-7-11-17/h2-13,15,19H,14H2,1H3,(H,24,26)(H,25,27)/t19-/m0/s1.
What are the key properties of N-[(1S)-3-[(6-methoxy-3-pyridinyl)amino]-3-oxo-1-phenylpropyl]benzamide?
N-[(1S)-3-[(6-methoxy-3-pyridinyl)amino]-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 375.43 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-[(6-methoxy-3-pyridinyl)amino]-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 9210815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).