N-[(1S,3S)-3-[(3-chlorobenzoyl)amino]cyclohexyl]pyridine-4-carboxamide

C19H20ClN3O2 — CID 71718341

IUPACN-[(1S,3S)-3-[(3-chlorobenzoyl)amino]cyclohexyl]pyridine-4-carboxamide
SMILESO=C(N[C@H]1CCC[C@H](NC(=O)c2cccc(Cl)c2)C1)c1ccncc1
InChIInChI=1S/C19H20ClN3O2/c20-15-4-1-3-14(11-15)19(25)23-17-6-2-5-16(12-17)22-18(24)13-7-9-21-10-8-13/h1,3-4,7-11,16-17H,2,5-6,12H2,(H,22,24)(H,23,25)/t16-,17-/m0/s1
InChIKeyUOUAHARLYWMUJP-IRXDYDNUSA-N
MW357.84 g/mol
LogP3.21
Rot. Bonds4

About N-[(1S,3S)-3-[(3-chlorobenzoyl)amino]cyclohexyl]pyridine-4-carboxamide

N-[(1S,3S)-3-[(3-chlorobenzoyl)amino]cyclohexyl]pyridine-4-carboxamide (PubChem CID 71718341) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is N-[(1S,3S)-3-[(3-chlorobenzoyl)amino]cyclohexyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S,3S)-3-[(3-chlorobenzoyl)amino]cyclohexyl]pyridine-4-carboxamide
PubChem CID71718341
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC NameN-[(1S,3S)-3-[(3-chlorobenzoyl)amino]cyclohexyl]pyridine-4-carboxamide
SMILESO=C(N[C@H]1CCC[C@H](NC(=O)c2cccc(Cl)c2)C1)c1ccncc1
InChIInChI=1S/C19H20ClN3O2/c20-15-4-1-3-14(11-15)19(25)23-17-6-2-5-16(12-17)22-18(24)13-7-9-21-10-8-13/h1,3-4,7-11,16-17H,2,5-6,12H2,(H,22,24)(H,23,25)/t16-,17-/m0/s1
InChIKeyUOUAHARLYWMUJP-IRXDYDNUSA-N
XLogP3.21
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-3-[(3-chlorobenzoyl)amino]cyclohexyl]pyridine-4-carboxamide?
The IUPAC name of N-[(1S,3S)-3-[(3-chlorobenzoyl)amino]cyclohexyl]pyridine-4-carboxamide (CID 71718341) is N-[(1S,3S)-3-[(3-chlorobenzoyl)amino]cyclohexyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1S,3S)-3-[(3-chlorobenzoyl)amino]cyclohexyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(1S,3S)-3-[(3-chlorobenzoyl)amino]cyclohexyl]pyridine-4-carboxamide is O=C(N[C@H]1CCC[C@H](NC(=O)c2cccc(Cl)c2)C1)c1ccncc1.
What is the InChIKey of N-[(1S,3S)-3-[(3-chlorobenzoyl)amino]cyclohexyl]pyridine-4-carboxamide?
The InChIKey is UOUAHARLYWMUJP-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c20-15-4-1-3-14(11-15)19(25)23-17-6-2-5-16(12-17)22-18(24)13-7-9-21-10-8-13/h1,3-4,7-11,16-17H,2,5-6,12H2,(H,22,24)(H,23,25)/t16-,17-/m0/s1.
What are the key properties of N-[(1S,3S)-3-[(3-chlorobenzoyl)amino]cyclohexyl]pyridine-4-carboxamide?
N-[(1S,3S)-3-[(3-chlorobenzoyl)amino]cyclohexyl]pyridine-4-carboxamide has a molecular weight of 357.84 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-3-[(3-chlorobenzoyl)amino]cyclohexyl]pyridine-4-carboxamide is sourced from PubChem (CID 71718341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).