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

C13H20N4O — CID 114138605

IUPAC3-(methylamino)-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-4-carboxamide
SMILESCNc1cnccc1C(=O)NCC1CCCN1C
InChIInChI=1S/C13H20N4O/c1-14-12-9-15-6-5-11(12)13(18)16-8-10-4-3-7-17(10)2/h5-6,9-10,14H,3-4,7-8H2,1-2H3,(H,16,18)
InChIKeyBYMJQPJBHWIASU-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.95
Rot. Bonds4

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

3-(methylamino)-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-4-carboxamide (PubChem CID 114138605) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-(methylamino)-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(methylamino)-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-4-carboxamide
PubChem CID114138605
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name3-(methylamino)-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-4-carboxamide
SMILESCNc1cnccc1C(=O)NCC1CCCN1C
InChIInChI=1S/C13H20N4O/c1-14-12-9-15-6-5-11(12)13(18)16-8-10-4-3-7-17(10)2/h5-6,9-10,14H,3-4,7-8H2,1-2H3,(H,16,18)
InChIKeyBYMJQPJBHWIASU-UHFFFAOYSA-N
XLogP0.95
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide
CID 103872767
3-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 105068087
4-(methylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-carboxamide
CID 81243360
N-[(1,1-dioxothiolan-2-yl)methyl]-3-(methylamino)pyridine-4-carboxamide
CID 105070801
N-[(1-methylpiperidin-2-yl)methyl]-4-(propylamino)pyridine-3-carboxamide
CID 81238615
(2-ethylpyrrolidin-1-yl)-[3-(methylamino)-4-pyridinyl]methanone
CID 105067784
N-ethyl-3-(methylamino)pyridine-4-carboxamide
CID 105068179
N-cyclopropyl-3-(methylamino)pyridine-4-carboxamide
CID 105068162
[2-(hydroxymethyl)azepan-1-yl]-[3-(methylamino)-4-pyridinyl]methanone
CID 105071412
(2-ethylazepan-1-yl)-[3-(methylamino)-4-pyridinyl]methanone
CID 105071156
N-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole-7-carboxamide
CID 103707474
3-(methylamino)-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 105069457

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of 3-(methylamino)-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-4-carboxamide (CID 114138605) is 3-(methylamino)-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-(methylamino)-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 3-(methylamino)-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-4-carboxamide is CNc1cnccc1C(=O)NCC1CCCN1C.
What is the InChIKey of 3-(methylamino)-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-4-carboxamide?
The InChIKey is BYMJQPJBHWIASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-14-12-9-15-6-5-11(12)13(18)16-8-10-4-3-7-17(10)2/h5-6,9-10,14H,3-4,7-8H2,1-2H3,(H,16,18).
What are the key properties of 3-(methylamino)-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-4-carboxamide?
3-(methylamino)-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-4-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 114138605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).