1-[[6-(methylamino)-2-pyridinyl]methyl]pyrrolidine-3-carboxamide

C12H18N4O — CID 114082462

IUPAC1-[[6-(methylamino)-2-pyridinyl]methyl]pyrrolidine-3-carboxamide
SMILESCNc1cccc(CN2CCC(C(N)=O)C2)n1
InChIInChI=1S/C12H18N4O/c1-14-11-4-2-3-10(15-11)8-16-6-5-9(7-16)12(13)17/h2-4,9H,5-8H2,1H3,(H2,13,17)(H,14,15)
InChIKeySWTPNMNEBMROGA-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.43
Rot. Bonds4

About 1-[[6-(methylamino)-2-pyridinyl]methyl]pyrrolidine-3-carboxamide

1-[[6-(methylamino)-2-pyridinyl]methyl]pyrrolidine-3-carboxamide (PubChem CID 114082462) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[[6-(methylamino)-2-pyridinyl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[[6-(methylamino)-2-pyridinyl]methyl]pyrrolidine-3-carboxamide
PubChem CID114082462
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name1-[[6-(methylamino)-2-pyridinyl]methyl]pyrrolidine-3-carboxamide
SMILESCNc1cccc(CN2CCC(C(N)=O)C2)n1
InChIInChI=1S/C12H18N4O/c1-14-11-4-2-3-10(15-11)8-16-6-5-9(7-16)12(13)17/h2-4,9H,5-8H2,1H3,(H2,13,17)(H,14,15)
InChIKeySWTPNMNEBMROGA-UHFFFAOYSA-N
XLogP0.43
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3-carbamoylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 106903916
[1-[[6-(methylamino)-2-pyridinyl]methyl]piperidin-3-yl]methanol
CID 79242797
6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine
CID 102966687
N-methyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]pyridin-2-amine
CID 79233400
6-[(4-cyclopropylpiperazin-1-yl)methyl]-N-methylpyridin-2-amine
CID 79243399
[6-[(3-methylpyrrolidin-1-yl)methyl]-2-pyridinyl]hydrazine
CID 79242934
1-[[2-(aminomethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 114081799
N-methyl-6-(morpholin-4-ylmethyl)pyridin-2-amine
CID 79242984
1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 68537453
N-[3-[6-(methylamino)-2-pyridinyl]propyl]-1-(2-oxopropyl)piperidine-4-carboxamide
CID 161116658
1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperidine-3-carboxamide
CID 80656948
N-methyl-6-[(2-methylpiperidin-1-yl)methyl]pyridin-2-amine
CID 79243246

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(methylamino)-2-pyridinyl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-[[6-(methylamino)-2-pyridinyl]methyl]pyrrolidine-3-carboxamide (CID 114082462) is 1-[[6-(methylamino)-2-pyridinyl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[[6-(methylamino)-2-pyridinyl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[[6-(methylamino)-2-pyridinyl]methyl]pyrrolidine-3-carboxamide is CNc1cccc(CN2CCC(C(N)=O)C2)n1.
What is the InChIKey of 1-[[6-(methylamino)-2-pyridinyl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is SWTPNMNEBMROGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-14-11-4-2-3-10(15-11)8-16-6-5-9(7-16)12(13)17/h2-4,9H,5-8H2,1H3,(H2,13,17)(H,14,15).
What are the key properties of 1-[[6-(methylamino)-2-pyridinyl]methyl]pyrrolidine-3-carboxamide?
1-[[6-(methylamino)-2-pyridinyl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(methylamino)-2-pyridinyl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 114082462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).