5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-6-chloro-N-methylpyridine-2-carboxamide

C20H31ClN4O — CID 176748271

IUPAC5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-6-chloro-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCC(N3CCC(C(C)(C)C)C3)CC2)c(Cl)n1
InChIInChI=1S/C20H31ClN4O/c1-20(2,3)14-7-10-25(13-14)15-8-11-24(12-9-15)17-6-5-16(19(26)22-4)23-18(17)21/h5-6,14-15H,7-13H2,1-4H3,(H,22,26)
InChIKeyNKRSYMKPZXKDLR-UHFFFAOYSA-N
MW378.95 g/mol
LogP3.43
Rot. Bonds3

About 5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-6-chloro-N-methylpyridine-2-carboxamide

5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-6-chloro-N-methylpyridine-2-carboxamide (PubChem CID 176748271) has the molecular formula C20H31ClN4O and a molecular weight of 378.95 g/mol. Its IUPAC name is 5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-6-chloro-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-6-chloro-N-methylpyridine-2-carboxamide
PubChem CID176748271
Molecular FormulaC20H31ClN4O
Molecular Weight378.95 g/mol
Exact Mass378.22
IUPAC Name5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-6-chloro-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCC(N3CCC(C(C)(C)C)C3)CC2)c(Cl)n1
InChIInChI=1S/C20H31ClN4O/c1-20(2,3)14-7-10-25(13-14)15-8-11-24(12-9-15)17-6-5-16(19(26)22-4)23-18(17)21/h5-6,14-15H,7-13H2,1-4H3,(H,22,26)
InChIKeyNKRSYMKPZXKDLR-UHFFFAOYSA-N
XLogP3.43
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.95
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-[4-(3-tert-butylpiperidin-1-yl)piperidin-1-yl]-6-chloro-N-methylpyridine-2-carboxamide
CID 176748297
5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N,4-dimethylpyrimidine-2-carboxamide
CID 176748256
4-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N-methylbenzamide
CID 176748270
6-chloro-N-methyl-5-piperidin-1-ylpyridine-2-carboxamide
CID 172815704
5-[4-(4-tert-butylpiperidin-1-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 176748280
2-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N-methylpyrimidine-5-carboxamide
CID 176748307
6-chloro-5-[4-[3-(7-fluoro-1-oxo-2H-isoquinolin-3-yl)pyrrolidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 169149026
5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-3-fluoro-N-methylpyridine-2-carboxamide
CID 176748212
5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 176748242
tert-butyl (3R)-4-[2-chloro-6-(methylcarbamoyl)-3-pyridinyl]-3-methylpiperazine-1-carboxylate
CID 178182435
6-fluoro-N-methyl-5-[4-[3-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide
CID 176748248
5-[4-[3-(2,2-dimethylpropyl)piperidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 176748206

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-6-chloro-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-6-chloro-N-methylpyridine-2-carboxamide (CID 176748271) is 5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-6-chloro-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-6-chloro-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-6-chloro-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(N2CCC(N3CCC(C(C)(C)C)C3)CC2)c(Cl)n1.
What is the InChIKey of 5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-6-chloro-N-methylpyridine-2-carboxamide?
The InChIKey is NKRSYMKPZXKDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31ClN4O/c1-20(2,3)14-7-10-25(13-14)15-8-11-24(12-9-15)17-6-5-16(19(26)22-4)23-18(17)21/h5-6,14-15H,7-13H2,1-4H3,(H,22,26).
What are the key properties of 5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-6-chloro-N-methylpyridine-2-carboxamide?
5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-6-chloro-N-methylpyridine-2-carboxamide has a molecular weight of 378.95 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-6-chloro-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 176748271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).