N-[1-(4-chloropyridine-2-carbonyl)pyrrolidin-2-yl]formamide

C11H12ClN3O2 — CID 174663819

IUPACN-[1-(4-chloropyridine-2-carbonyl)pyrrolidin-2-yl]formamide
SMILESO=CNC1CCCN1C(=O)c1cc(Cl)ccn1
InChIInChI=1S/C11H12ClN3O2/c12-8-3-4-13-9(6-8)11(17)15-5-1-2-10(15)14-7-16/h3-4,6-7,10H,1-2,5H2,(H,14,16)
InChIKeyQPJIPIQIMTZCLG-UHFFFAOYSA-N
MW253.69 g/mol
LogP1.04
Rot. Bonds3

About N-[1-(4-chloropyridine-2-carbonyl)pyrrolidin-2-yl]formamide

N-[1-(4-chloropyridine-2-carbonyl)pyrrolidin-2-yl]formamide (PubChem CID 174663819) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is N-[1-(4-chloropyridine-2-carbonyl)pyrrolidin-2-yl]formamide.

Molecular Properties

Compound NameN-[1-(4-chloropyridine-2-carbonyl)pyrrolidin-2-yl]formamide
PubChem CID174663819
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC NameN-[1-(4-chloropyridine-2-carbonyl)pyrrolidin-2-yl]formamide
SMILESO=CNC1CCCN1C(=O)c1cc(Cl)ccn1
InChIInChI=1S/C11H12ClN3O2/c12-8-3-4-13-9(6-8)11(17)15-5-1-2-10(15)14-7-16/h3-4,6-7,10H,1-2,5H2,(H,14,16)
InChIKeyQPJIPIQIMTZCLG-UHFFFAOYSA-N
XLogP1.04
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[1-(4-chloropyridine-2-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61370686
(4-chloro-2-pyridinyl)-(2-cyclohexylpyrrolidin-1-yl)methanone
CID 61051101
(4-chloro-2-pyridinyl)-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methanone
CID 86849322
(3R)-1-(4-chloropyridine-2-carbonyl)piperidine-3-carboxylic acid
CID 81118172
(4-chloro-2-pyridinyl)-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]methanone
CID 95175114
N-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]formamide
CID 174675557
4-chloro-N-(1,2-dimethylpiperidin-4-yl)pyridine-2-carboxamide
CID 79005580
[1-(4-chloropyridine-2-carbonyl)piperidin-3-yl]methylurea
CID 61053200
(4-chloro-2-pyridinyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 113239864
methyl 4-(4-chloropyridine-2-carbonyl)morpholine-3-carboxylate
CID 115670216
4-chloro-N-(3-methylcyclohexyl)pyridine-2-carboxamide
CID 43244106
4-chloro-N-hydroxypyridine-2-carboxamide
CID 83381234

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chloropyridine-2-carbonyl)pyrrolidin-2-yl]formamide?
The IUPAC name of N-[1-(4-chloropyridine-2-carbonyl)pyrrolidin-2-yl]formamide (CID 174663819) is N-[1-(4-chloropyridine-2-carbonyl)pyrrolidin-2-yl]formamide.
What is the SMILES notation for N-[1-(4-chloropyridine-2-carbonyl)pyrrolidin-2-yl]formamide?
The canonical SMILES for N-[1-(4-chloropyridine-2-carbonyl)pyrrolidin-2-yl]formamide is O=CNC1CCCN1C(=O)c1cc(Cl)ccn1.
What is the InChIKey of N-[1-(4-chloropyridine-2-carbonyl)pyrrolidin-2-yl]formamide?
The InChIKey is QPJIPIQIMTZCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c12-8-3-4-13-9(6-8)11(17)15-5-1-2-10(15)14-7-16/h3-4,6-7,10H,1-2,5H2,(H,14,16).
What are the key properties of N-[1-(4-chloropyridine-2-carbonyl)pyrrolidin-2-yl]formamide?
N-[1-(4-chloropyridine-2-carbonyl)pyrrolidin-2-yl]formamide has a molecular weight of 253.69 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chloropyridine-2-carbonyl)pyrrolidin-2-yl]formamide is sourced from PubChem (CID 174663819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).