4-(aminomethyl)-N-[2-(1H-pyrrol-2-yl)ethyl]pyridine-2-carboxamide

C13H16N4O — CID 115117068

IUPAC4-(aminomethyl)-N-[2-(1H-pyrrol-2-yl)ethyl]pyridine-2-carboxamide
SMILESNCc1ccnc(C(=O)NCCc2ccc[nH]2)c1
InChIInChI=1S/C13H16N4O/c14-9-10-3-6-16-12(8-10)13(18)17-7-4-11-2-1-5-15-11/h1-3,5-6,8,15H,4,7,9,14H2,(H,17,18)
InChIKeyRTNVNVYMGUTKAG-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.84
Rot. Bonds5

About 4-(aminomethyl)-N-[2-(1H-pyrrol-2-yl)ethyl]pyridine-2-carboxamide

4-(aminomethyl)-N-[2-(1H-pyrrol-2-yl)ethyl]pyridine-2-carboxamide (PubChem CID 115117068) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-(1H-pyrrol-2-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-(1H-pyrrol-2-yl)ethyl]pyridine-2-carboxamide
PubChem CID115117068
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-(aminomethyl)-N-[2-(1H-pyrrol-2-yl)ethyl]pyridine-2-carboxamide
SMILESNCc1ccnc(C(=O)NCCc2ccc[nH]2)c1
InChIInChI=1S/C13H16N4O/c14-9-10-3-6-16-12(8-10)13(18)17-7-4-11-2-1-5-15-11/h1-3,5-6,8,15H,4,7,9,14H2,(H,17,18)
InChIKeyRTNVNVYMGUTKAG-UHFFFAOYSA-N
XLogP0.84
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(2-cyclohexylethyl)pyridine-2-carboxamide
CID 115117078
2-oxo-N-[2-(1H-pyrrol-2-yl)ethyl]acetamide
CID 115166553
4-(aminomethyl)pyridine-2-carboxylic acid;hydrochloride
CID 139035417
4-(aminomethyl)-N-[(5-bromothiophen-2-yl)methyl]pyridine-2-carboxamide
CID 115117022
3-oxo-3-[2-(1H-pyrrol-2-yl)ethylamino]propanoic acid
CID 115163534
4-pyrazol-1-yl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 71801475
4-(aminomethyl)-N-(4-propylphenyl)pyridine-2-carboxamide
CID 115116947
3-chloro-N-[2-(1H-pyrrol-2-yl)ethyl]propanamide
CID 115162633
N-[2-(1H-pyrrol-2-yl)ethyl]prop-2-ynamide
CID 130684110
N-(3-aminopropyl)-4-chloropyridine-2-carboxamide
CID 61247982
N-(3-aminopropyl)-4-pyrazol-1-ylpyridine-2-carboxamide
CID 119405198
N-(2-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213524

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-(1H-pyrrol-2-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[2-(1H-pyrrol-2-yl)ethyl]pyridine-2-carboxamide (CID 115117068) is 4-(aminomethyl)-N-[2-(1H-pyrrol-2-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[2-(1H-pyrrol-2-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[2-(1H-pyrrol-2-yl)ethyl]pyridine-2-carboxamide is NCc1ccnc(C(=O)NCCc2ccc[nH]2)c1.
What is the InChIKey of 4-(aminomethyl)-N-[2-(1H-pyrrol-2-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is RTNVNVYMGUTKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c14-9-10-3-6-16-12(8-10)13(18)17-7-4-11-2-1-5-15-11/h1-3,5-6,8,15H,4,7,9,14H2,(H,17,18).
What are the key properties of 4-(aminomethyl)-N-[2-(1H-pyrrol-2-yl)ethyl]pyridine-2-carboxamide?
4-(aminomethyl)-N-[2-(1H-pyrrol-2-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 0.84, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-(1H-pyrrol-2-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 115117068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).