6-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide

C14H18ClN3O — CID 61052814

IUPAC6-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
SMILESO=C(NCC1CCN(C2CC2)C1)c1ccc(Cl)nc1
InChIInChI=1S/C14H18ClN3O/c15-13-4-1-11(8-16-13)14(19)17-7-10-5-6-18(9-10)12-2-3-12/h1,4,8,10,12H,2-3,5-7,9H2,(H,17,19)
InChIKeyMBMYDZVWBPYPEF-UHFFFAOYSA-N
MW279.77 g/mol
LogP1.95
Rot. Bonds4

About 6-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide

6-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide (PubChem CID 61052814) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 6-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
PubChem CID61052814
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name6-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
SMILESO=C(NCC1CCN(C2CC2)C1)c1ccc(Cl)nc1
InChIInChI=1S/C14H18ClN3O/c15-13-4-1-11(8-16-13)14(19)17-7-10-5-6-18(9-10)12-2-3-12/h1,4,8,10,12H,2-3,5-7,9H2,(H,17,19)
InChIKeyMBMYDZVWBPYPEF-UHFFFAOYSA-N
XLogP1.95
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-ethoxybenzamide
CID 47031179
6-chloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-carboxamide
CID 47298591
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methylsulfanylbenzamide
CID 78870756
2-bromo-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
CID 113255193
N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-5-hydroxypyridine-3-carboxamide
CID 124553912
N-[(1-cyclohexylpyrrolidin-3-yl)methyl]pyrimidine-5-carboxamide
CID 122564823
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998447
2-[(1-cyclopropylpyrrolidin-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63615089
6-amino-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 62160287
2-chloro-N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-4-methylbenzamide
CID 99832914
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-iodothiophene-3-carboxamide
CID 78950614
4-amino-2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]benzamide;dihydrochloride
CID 119854816

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide (CID 61052814) is 6-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide is O=C(NCC1CCN(C2CC2)C1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide?
The InChIKey is MBMYDZVWBPYPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c15-13-4-1-11(8-16-13)14(19)17-7-10-5-6-18(9-10)12-2-3-12/h1,4,8,10,12H,2-3,5-7,9H2,(H,17,19).
What are the key properties of 6-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide?
6-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide has a molecular weight of 279.77 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 61052814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).