5-chloro-6-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]pyridine-3-carboxamide

C16H14ClN3O2 — CID 95770496

IUPAC5-chloro-6-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)c(Cl)c1
InChIInChI=1S/C16H14ClN3O2/c17-13-6-10(14(18)21)8-19-15(13)20-16(22)12-7-11(12)9-4-2-1-3-5-9/h1-6,8,11-12H,7H2,(H2,18,21)(H,19,20,22)/t11-,12-/m1/s1
InChIKeyMJCFPLUCGRDXHQ-VXGBXAGGSA-N
MW315.76 g/mol
LogP2.58
Rot. Bonds4

About 5-chloro-6-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]pyridine-3-carboxamide

5-chloro-6-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]pyridine-3-carboxamide (PubChem CID 95770496) has the molecular formula C16H14ClN3O2 and a molecular weight of 315.76 g/mol. Its IUPAC name is 5-chloro-6-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]pyridine-3-carboxamide
PubChem CID95770496
Molecular FormulaC16H14ClN3O2
Molecular Weight315.76 g/mol
Exact Mass315.08
IUPAC Name5-chloro-6-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)c(Cl)c1
InChIInChI=1S/C16H14ClN3O2/c17-13-6-10(14(18)21)8-19-15(13)20-16(22)12-7-11(12)9-4-2-1-3-5-9/h1-6,8,11-12H,7H2,(H2,18,21)(H,19,20,22)/t11-,12-/m1/s1
InChIKeyMJCFPLUCGRDXHQ-VXGBXAGGSA-N
XLogP2.58
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-pyridinyl)-2-phenylcyclopropane-1-carboxamide
CID 115627268
trans-(1R,2R)-N-(3-chlorophenyl)-2-phenylcyclopropane-1-carboxamide
CID 792382
N-(6-chloropyridazin-3-yl)-2-phenylcyclopropane-1-carboxamide
CID 115624549
5-chloro-6-[[(2S,3R)-2-phenyloxan-3-yl]methylamino]pyridine-3-carboxamide
CID 95141905
5-chloro-6-[(1-cyclopropyl-2-phenylethyl)amino]pyridine-3-carboxamide
CID 133322616
5-ethyl-2-[[(1S,2R)-2-phenylcyclopropanecarbonyl]amino]thiophene-3-carboxamide
CID 35277399
N-(3-hydroxyphenyl)-2-phenylcyclopropane-1-carboxamide
CID 81445768
3-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 51295099
N-(2-chloro-4-methoxyphenyl)-2-phenylcyclopropane-1-carboxamide
CID 86857978
cis-(1S,2R)-N-[3-(carbamoylamino)phenyl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 95979513
trans-(1R,2R)-N-(5-chloro-2-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 887653
cis-(1R,2S)-2-phenyl-N-[4-[4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]phenyl]cyclopropane-1-carboxamide
CID 93010782

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]pyridine-3-carboxamide (CID 95770496) is 5-chloro-6-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]pyridine-3-carboxamide is NC(=O)c1cnc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]pyridine-3-carboxamide?
The InChIKey is MJCFPLUCGRDXHQ-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H14ClN3O2/c17-13-6-10(14(18)21)8-19-15(13)20-16(22)12-7-11(12)9-4-2-1-3-5-9/h1-6,8,11-12H,7H2,(H2,18,21)(H,19,20,22)/t11-,12-/m1/s1.
What are the key properties of 5-chloro-6-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]pyridine-3-carboxamide?
5-chloro-6-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]pyridine-3-carboxamide has a molecular weight of 315.76 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 95770496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).