5-chloro-6-cyclopropyl-2-(4,4-difluoroazepan-1-yl)-N-(2-oxopiperidin-4-yl)pyridine-3-carboxamide

C20H25ClF2N4O2 — CID 166595913

IUPAC5-chloro-6-cyclopropyl-2-(4,4-difluoroazepan-1-yl)-N-(2-oxopiperidin-4-yl)pyridine-3-carboxamide
SMILESO=C1CC(NC(=O)c2cc(Cl)c(C3CC3)nc2N2CCCC(F)(F)CC2)CCN1
InChIInChI=1S/C20H25ClF2N4O2/c21-15-11-14(19(29)25-13-4-7-24-16(28)10-13)18(26-17(15)12-2-3-12)27-8-1-5-20(22,23)6-9-27/h11-13H,1-10H2,(H,24,28)(H,25,29)
InChIKeyNGNKTROZZQIUEM-UHFFFAOYSA-N
MW426.90 g/mol
LogP3.25
Rot. Bonds4

About 5-chloro-6-cyclopropyl-2-(4,4-difluoroazepan-1-yl)-N-(2-oxopiperidin-4-yl)pyridine-3-carboxamide

5-chloro-6-cyclopropyl-2-(4,4-difluoroazepan-1-yl)-N-(2-oxopiperidin-4-yl)pyridine-3-carboxamide (PubChem CID 166595913) has the molecular formula C20H25ClF2N4O2 and a molecular weight of 426.90 g/mol. Its IUPAC name is 5-chloro-6-cyclopropyl-2-(4,4-difluoroazepan-1-yl)-N-(2-oxopiperidin-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-cyclopropyl-2-(4,4-difluoroazepan-1-yl)-N-(2-oxopiperidin-4-yl)pyridine-3-carboxamide
PubChem CID166595913
Molecular FormulaC20H25ClF2N4O2
Molecular Weight426.90 g/mol
Exact Mass426.16
IUPAC Name5-chloro-6-cyclopropyl-2-(4,4-difluoroazepan-1-yl)-N-(2-oxopiperidin-4-yl)pyridine-3-carboxamide
SMILESO=C1CC(NC(=O)c2cc(Cl)c(C3CC3)nc2N2CCCC(F)(F)CC2)CCN1
InChIInChI=1S/C20H25ClF2N4O2/c21-15-11-14(19(29)25-13-4-7-24-16(28)10-13)18(26-17(15)12-2-3-12)27-8-1-5-20(22,23)6-9-27/h11-13H,1-10H2,(H,24,28)(H,25,29)
InChIKeyNGNKTROZZQIUEM-UHFFFAOYSA-N
XLogP3.25
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-6-cyclopropyl-2-(4,4-difluoroazepan-1-yl)-N-(2-oxopiperidin-4-yl)pyridine-3-carboxamide with MolForge

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Related Compounds

N-(cyclopropylmethyl)-2-(2-methylpropylamino)-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine-3-carboxamide
CID 97520610
US11377438, Example 209
CID 166595862
US11377438, Example 213
CID 166596041
5-Chloro-6-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]pyridine-3-carboxamide
CID 47059451
7-(cyclopropylmethyl)-N-methyl-2-(2-methylpropylamino)-5,6,8,9-tetrahydropyrido[2,3-d]azepine-3-carboxamide
CID 97406128
3-N-methyl-7-N-propan-2-yl-2-(propan-2-ylamino)-5,6,8,9-tetrahydropyrido[2,3-d]azepine-3,7-dicarboxamide
CID 97520501
N-(cyclopropylmethyl)-2-(propan-2-ylamino)-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine-3-carboxamide
CID 97520538
N-(cyclopropylmethyl)-7-methyl-2-(propan-2-ylamino)-5,6,8,9-tetrahydropyrido[2,3-d]azepine-3-carboxamide
CID 97520539
N,7-bis(cyclopropylmethyl)-2-(propan-2-ylamino)-5,6,8,9-tetrahydropyrido[2,3-d]azepine-3-carboxamide
CID 97520541
3-N-(cyclopropylmethyl)-7-N-methyl-2-(propan-2-ylamino)-5,6,8,9-tetrahydropyrido[2,3-d]azepine-3,7-dicarboxamide
CID 97520544
N,7-dimethyl-2-(2-methylpropylamino)-5,6,8,9-tetrahydropyrido[2,3-d]azepine-3-carboxamide
CID 97520568
2-(cyclopropylmethylamino)-N-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine-3-carboxamide
CID 97520630

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-cyclopropyl-2-(4,4-difluoroazepan-1-yl)-N-(2-oxopiperidin-4-yl)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-cyclopropyl-2-(4,4-difluoroazepan-1-yl)-N-(2-oxopiperidin-4-yl)pyridine-3-carboxamide (CID 166595913) is 5-chloro-6-cyclopropyl-2-(4,4-difluoroazepan-1-yl)-N-(2-oxopiperidin-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-cyclopropyl-2-(4,4-difluoroazepan-1-yl)-N-(2-oxopiperidin-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-cyclopropyl-2-(4,4-difluoroazepan-1-yl)-N-(2-oxopiperidin-4-yl)pyridine-3-carboxamide is O=C1CC(NC(=O)c2cc(Cl)c(C3CC3)nc2N2CCCC(F)(F)CC2)CCN1.
What is the InChIKey of 5-chloro-6-cyclopropyl-2-(4,4-difluoroazepan-1-yl)-N-(2-oxopiperidin-4-yl)pyridine-3-carboxamide?
The InChIKey is NGNKTROZZQIUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClF2N4O2/c21-15-11-14(19(29)25-13-4-7-24-16(28)10-13)18(26-17(15)12-2-3-12)27-8-1-5-20(22,23)6-9-27/h11-13H,1-10H2,(H,24,28)(H,25,29).
What are the key properties of 5-chloro-6-cyclopropyl-2-(4,4-difluoroazepan-1-yl)-N-(2-oxopiperidin-4-yl)pyridine-3-carboxamide?
5-chloro-6-cyclopropyl-2-(4,4-difluoroazepan-1-yl)-N-(2-oxopiperidin-4-yl)pyridine-3-carboxamide has a molecular weight of 426.90 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-cyclopropyl-2-(4,4-difluoroazepan-1-yl)-N-(2-oxopiperidin-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 166595913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).