2-[3-(aminomethyl)pyrrolidin-1-yl]pyridine-3-carboxamide

C11H16N4O — CID 62062379

IUPAC2-[3-(aminomethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
SMILESNCC1CCN(c2ncccc2C(N)=O)C1
InChIInChI=1S/C11H16N4O/c12-6-8-3-5-15(7-8)11-9(10(13)16)2-1-4-14-11/h1-2,4,8H,3,5-7,12H2,(H2,13,16)
InChIKeyPWMYPRKDXRICSO-UHFFFAOYSA-N
MW220.28 g/mol
LogP-0.03
Rot. Bonds3

About 2-[3-(aminomethyl)pyrrolidin-1-yl]pyridine-3-carboxamide

2-[3-(aminomethyl)pyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 62062379) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 2-[3-(aminomethyl)pyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID62062379
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name2-[3-(aminomethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
SMILESNCC1CCN(c2ncccc2C(N)=O)C1
InChIInChI=1S/C11H16N4O/c12-6-8-3-5-15(7-8)11-9(10(13)16)2-1-4-14-11/h1-2,4,8H,3,5-7,12H2,(H2,13,16)
InChIKeyPWMYPRKDXRICSO-UHFFFAOYSA-N
XLogP-0.03
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 113243984
2-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129496225
2-[(3S)-3-(fluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129496223
2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide
CID 63241496
2-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]pyridine-3-carboxamide
CID 95869834
2-[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]pyridine-3-carboxamide
CID 95869833
2-[4-(aminomethyl)piperidin-1-yl]pyridin-3-ol
CID 71644858
2-(6-azaspiro[2.5]octan-6-yl)pyridine-3-carboxamide
CID 163287557
2-[1-(3-bromo-2-pyridinyl)pyrrolidin-3-yl]acetamide
CID 127266551
2-[4-[[[(2R)-2-methylsulfanylpropanoyl]amino]methyl]piperidin-1-yl]pyridine-3-carboxamide
CID 95633448
(1-isoquinolin-1-ylpyrrolidin-3-yl)methanamine
CID 115492061
2-[4-(3-carbamoyl-2-pyridinyl)morpholin-2-yl]acetic acid
CID 66435763

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)pyrrolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 2-[3-(aminomethyl)pyrrolidin-1-yl]pyridine-3-carboxamide (CID 62062379) is 2-[3-(aminomethyl)pyrrolidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[3-(aminomethyl)pyrrolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-[3-(aminomethyl)pyrrolidin-1-yl]pyridine-3-carboxamide is NCC1CCN(c2ncccc2C(N)=O)C1.
What is the InChIKey of 2-[3-(aminomethyl)pyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is PWMYPRKDXRICSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c12-6-8-3-5-15(7-8)11-9(10(13)16)2-1-4-14-11/h1-2,4,8H,3,5-7,12H2,(H2,13,16).
What are the key properties of 2-[3-(aminomethyl)pyrrolidin-1-yl]pyridine-3-carboxamide?
2-[3-(aminomethyl)pyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 220.28 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)pyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 62062379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).