2-chloro-N-[(1S)-3-oxo-1-phenyl-3-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]propyl]benzamide

C25H25ClN4O2 — CID 26249276

IUPAC2-chloro-N-[(1S)-3-oxo-1-phenyl-3-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]propyl]benzamide
SMILESO=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1ccc(N2CCCC2)nc1
InChIInChI=1S/C25H25ClN4O2/c26-21-11-5-4-10-20(21)25(32)29-22(18-8-2-1-3-9-18)16-24(31)28-19-12-13-23(27-17-19)30-14-6-7-15-30/h1-5,8-13,17,22H,6-7,14-16H2,(H,28,31)(H,29,32)/t22-/m0/s1
InChIKeyKQWUFROASZNXQE-QFIPXVFZSA-N
MW448.95 g/mol
LogP4.84
Rot. Bonds7

About 2-chloro-N-[(1S)-3-oxo-1-phenyl-3-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]propyl]benzamide

2-chloro-N-[(1S)-3-oxo-1-phenyl-3-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]propyl]benzamide (PubChem CID 26249276) has the molecular formula C25H25ClN4O2 and a molecular weight of 448.95 g/mol. Its IUPAC name is 2-chloro-N-[(1S)-3-oxo-1-phenyl-3-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]propyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(1S)-3-oxo-1-phenyl-3-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]propyl]benzamide
PubChem CID26249276
Molecular FormulaC25H25ClN4O2
Molecular Weight448.95 g/mol
Exact Mass448.17
IUPAC Name2-chloro-N-[(1S)-3-oxo-1-phenyl-3-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]propyl]benzamide
SMILESO=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1ccc(N2CCCC2)nc1
InChIInChI=1S/C25H25ClN4O2/c26-21-11-5-4-10-20(21)25(32)29-22(18-8-2-1-3-9-18)16-24(31)28-19-12-13-23(27-17-19)30-14-6-7-15-30/h1-5,8-13,17,22H,6-7,14-16H2,(H,28,31)(H,29,32)/t22-/m0/s1
InChIKeyKQWUFROASZNXQE-QFIPXVFZSA-N
XLogP4.84
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.95
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-[(1S)-3-oxo-1-phenyl-3-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]propyl]benzamide with MolForge

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Related Compounds

N-[6-(azepan-1-yl)-3-pyridinyl]-3,3-diphenylpropanamide
CID 113015896
2-chloro-N-[3-methyl-1-oxo-1-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butan-2-yl]benzamide
CID 46533335
2-chloro-N-[3-[4-(morpholin-4-ylmethyl)anilino]-3-oxo-1-phenylpropyl]benzamide
CID 112772284
2-chloro-N-[(1S)-3-oxo-1-phenyl-3-(pyridin-2-ylamino)propyl]benzamide
CID 25332382
3-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide
CID 60836509
2-chloro-N-[(1S)-3-(cycloheptylamino)-3-oxo-1-phenylpropyl]benzamide
CID 7688761
2-chloro-N-[3-[(1-methylpyrazol-3-yl)amino]-3-oxo-1-phenylpropyl]benzamide
CID 24501980
2-chloro-N-[3-oxo-1-phenyl-3-[4-(thiadiazol-4-yl)anilino]propyl]benzamide
CID 55985453
2-iodo-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]ethyl]benzamide
CID 30267909
methyl 2-[3-[[3-[(2-chlorobenzoyl)amino]-3-phenylpropanoyl]amino]phenoxy]acetate
CID 46425036
(3R)-3-(carbamoylamino)-N-(6-morpholin-4-yl-3-pyridinyl)-3-(3-phenoxyphenyl)propanamide
CID 34444234
N-[3-(butan-2-ylamino)-3-oxo-1-phenylpropyl]-2-chlorobenzamide
CID 4806734

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1S)-3-oxo-1-phenyl-3-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]propyl]benzamide?
The IUPAC name of 2-chloro-N-[(1S)-3-oxo-1-phenyl-3-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]propyl]benzamide (CID 26249276) is 2-chloro-N-[(1S)-3-oxo-1-phenyl-3-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]propyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(1S)-3-oxo-1-phenyl-3-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]propyl]benzamide?
The canonical SMILES for 2-chloro-N-[(1S)-3-oxo-1-phenyl-3-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]propyl]benzamide is O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1ccc(N2CCCC2)nc1.
What is the InChIKey of 2-chloro-N-[(1S)-3-oxo-1-phenyl-3-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]propyl]benzamide?
The InChIKey is KQWUFROASZNXQE-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H25ClN4O2/c26-21-11-5-4-10-20(21)25(32)29-22(18-8-2-1-3-9-18)16-24(31)28-19-12-13-23(27-17-19)30-14-6-7-15-30/h1-5,8-13,17,22H,6-7,14-16H2,(H,28,31)(H,29,32)/t22-/m0/s1.
What are the key properties of 2-chloro-N-[(1S)-3-oxo-1-phenyl-3-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]propyl]benzamide?
2-chloro-N-[(1S)-3-oxo-1-phenyl-3-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]propyl]benzamide has a molecular weight of 448.95 g/mol, XLogP of 4.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1S)-3-oxo-1-phenyl-3-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]propyl]benzamide is sourced from PubChem (CID 26249276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).