5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(methylamino)pyridine-4-carboxamide

C15H23ClN4O — CID 114924344

IUPAC5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCC2(N(C)C)CCCC2)c(Cl)cn1
InChIInChI=1S/C15H23ClN4O/c1-17-13-8-11(12(16)9-18-13)14(21)19-10-15(20(2)3)6-4-5-7-15/h8-9H,4-7,10H2,1-3H3,(H,17,18)(H,19,21)
InChIKeyWNKBKYYIRQZOSP-UHFFFAOYSA-N
MW310.83 g/mol
LogP2.38
Rot. Bonds5

About 5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(methylamino)pyridine-4-carboxamide

5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(methylamino)pyridine-4-carboxamide (PubChem CID 114924344) has the molecular formula C15H23ClN4O and a molecular weight of 310.83 g/mol. Its IUPAC name is 5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(methylamino)pyridine-4-carboxamide
PubChem CID114924344
Molecular FormulaC15H23ClN4O
Molecular Weight310.83 g/mol
Exact Mass310.16
IUPAC Name5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCC2(N(C)C)CCCC2)c(Cl)cn1
InChIInChI=1S/C15H23ClN4O/c1-17-13-8-11(12(16)9-18-13)14(21)19-10-15(20(2)3)6-4-5-7-15/h8-9H,4-7,10H2,1-3H3,(H,17,18)(H,19,21)
InChIKeyWNKBKYYIRQZOSP-UHFFFAOYSA-N
XLogP2.38
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-hydroxybenzamide
CID 106502082
5-chloro-N-[2-(dimethylcarbamoylamino)ethyl]-2-(methylamino)pyridine-4-carboxamide
CID 114924347
2-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-fluoropyridine-3-carboxamide
CID 103940090
N-(2-acetamidoethyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
CID 114922273
5-chloro-2-(methylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
CID 114922352
5-chloro-N-(2-cyclobutylethyl)-2-(methylamino)pyridine-4-carboxamide
CID 114924528
5-chloro-N-(2,2-difluoroethyl)-2-(methylamino)pyridine-4-carboxamide
CID 114924242
4-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-6-methylpyridine-3-carboxamide
CID 83115454
5-chloro-N-cyclobutyl-2-(methylamino)pyridine-4-carboxamide
CID 114923292
5-chloro-N-(furan-2-ylmethyl)-2-(methylamino)pyridine-4-carboxamide
CID 114921720
5-chloro-N-(2-cyclopropylpropyl)-2-(methylamino)pyridine-4-carboxamide
CID 114924516
N-[3-(tert-butylamino)-3-oxopropyl]-5-chloro-2-(methylamino)pyridine-4-carboxamide
CID 114924429

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(methylamino)pyridine-4-carboxamide?
The IUPAC name of 5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(methylamino)pyridine-4-carboxamide (CID 114924344) is 5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for 5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(methylamino)pyridine-4-carboxamide is CNc1cc(C(=O)NCC2(N(C)C)CCCC2)c(Cl)cn1.
What is the InChIKey of 5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(methylamino)pyridine-4-carboxamide?
The InChIKey is WNKBKYYIRQZOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4O/c1-17-13-8-11(12(16)9-18-13)14(21)19-10-15(20(2)3)6-4-5-7-15/h8-9H,4-7,10H2,1-3H3,(H,17,18)(H,19,21).
What are the key properties of 5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(methylamino)pyridine-4-carboxamide?
5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(methylamino)pyridine-4-carboxamide has a molecular weight of 310.83 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 114924344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).