N-tert-butyl-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide

C15H21N3O2 — CID 109080380

IUPACN-tert-butyl-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
SMILESCC(C)(C)NC(=O)c1cc(C(=O)N2CCCC2)ccn1
InChIInChI=1S/C15H21N3O2/c1-15(2,3)17-13(19)12-10-11(6-7-16-12)14(20)18-8-4-5-9-18/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,19)
InChIKeyXBLKOPFCVHHRHY-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.85
Rot. Bonds2

About N-tert-butyl-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide

N-tert-butyl-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide (PubChem CID 109080380) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-tert-butyl-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
PubChem CID109080380
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-tert-butyl-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
SMILESCC(C)(C)NC(=O)c1cc(C(=O)N2CCCC2)ccn1
InChIInChI=1S/C15H21N3O2/c1-15(2,3)17-13(19)12-10-11(6-7-16-12)14(20)18-8-4-5-9-18/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,19)
InChIKeyXBLKOPFCVHHRHY-UHFFFAOYSA-N
XLogP1.85
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(azepane-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080392
N-(2-methylphenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080395
N-tert-butyl-3-(piperidine-1-carbonyl)benzamide
CID 109052027
N-tert-butyl-2-(4-ethylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084555
N-tert-butyl-4-(2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide
CID 109089256
N-cyclohexyl-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080315
4-(azepane-1-carbonyl)-N-tert-butylbenzamide
CID 48845413
N-phenyl-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081096
ethyl 4-[4-(tert-butylcarbamoyl)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109088681
N-(2,6-dichlorophenyl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081176
4-(azepane-1-carbonyl)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide
CID 109090713
N-(2-chlorophenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080420

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide?
The IUPAC name of N-tert-butyl-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide (CID 109080380) is N-tert-butyl-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide?
The canonical SMILES for N-tert-butyl-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide is CC(C)(C)NC(=O)c1cc(C(=O)N2CCCC2)ccn1.
What is the InChIKey of N-tert-butyl-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide?
The InChIKey is XBLKOPFCVHHRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-15(2,3)17-13(19)12-10-11(6-7-16-12)14(20)18-8-4-5-9-18/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,19).
What are the key properties of N-tert-butyl-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide?
N-tert-butyl-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide is sourced from PubChem (CID 109080380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).