4-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide

C12H16ClN3O — CID 103872767

IUPAC4-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide
SMILESCN1CCCC1CNC(=O)c1cnccc1Cl
InChIInChI=1S/C12H16ClN3O/c1-16-6-2-3-9(16)7-15-12(17)10-8-14-5-4-11(10)13/h4-5,8-9H,2-3,6-7H2,1H3,(H,15,17)
InChIKeyMHUMVWDPXZJOGM-UHFFFAOYSA-N
MW253.73 g/mol
LogP1.56
Rot. Bonds3

About 4-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide

4-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide (PubChem CID 103872767) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 4-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide
PubChem CID103872767
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name4-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide
SMILESCN1CCCC1CNC(=O)c1cnccc1Cl
InChIInChI=1S/C12H16ClN3O/c1-16-6-2-3-9(16)7-15-12(17)10-8-14-5-4-11(10)13/h4-5,8-9H,2-3,6-7H2,1H3,(H,15,17)
InChIKeyMHUMVWDPXZJOGM-UHFFFAOYSA-N
XLogP1.56
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(methylamino)-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-4-carboxamide
CID 114138605
4-chloro-N-(cyclohexylmethyl)pyridine-3-carboxamide
CID 81225483
N-[(1-methylpiperidin-2-yl)methyl]-4-(propylamino)pyridine-3-carboxamide
CID 81238615
2-amino-3-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 114137909
4-chloro-N-(thiolan-2-ylmethyl)pyridine-3-carboxamide
CID 81233110
4-chloro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81225863
2-chloro-N-[(1-methylpiperidin-2-yl)methyl]-5-sulfanylbenzamide
CID 107027003
2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]-5-nitropyridine-4-carboxamide
CID 103733781
4-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide
CID 81225983
2-bromo-5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 113259158
4-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 81226066
2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 47416436

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide (CID 103872767) is 4-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide is CN1CCCC1CNC(=O)c1cnccc1Cl.
What is the InChIKey of 4-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide?
The InChIKey is MHUMVWDPXZJOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-16-6-2-3-9(16)7-15-12(17)10-8-14-5-4-11(10)13/h4-5,8-9H,2-3,6-7H2,1H3,(H,15,17).
What are the key properties of 4-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide?
4-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide has a molecular weight of 253.73 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 103872767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).