2-(aminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-4-carboxamide

C10H13N7O — CID 114326404

IUPAC2-(aminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccnc(CN)c1)c1nn[nH]n1
InChIInChI=1S/C10H13N7O/c1-6(9-14-16-17-15-9)13-10(18)7-2-3-12-8(4-7)5-11/h2-4,6H,5,11H2,1H3,(H,13,18)(H,14,15,16,17)
InChIKeyKYLVAIIXIMNTSR-UHFFFAOYSA-N
MW247.26 g/mol
LogP-0.46
Rot. Bonds4

About 2-(aminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-4-carboxamide

2-(aminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-4-carboxamide (PubChem CID 114326404) has the molecular formula C10H13N7O and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-4-carboxamide
PubChem CID114326404
Molecular FormulaC10H13N7O
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC Name2-(aminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccnc(CN)c1)c1nn[nH]n1
InChIInChI=1S/C10H13N7O/c1-6(9-14-16-17-15-9)13-10(18)7-2-3-12-8(4-7)5-11/h2-4,6H,5,11H2,1H3,(H,13,18)(H,14,15,16,17)
InChIKeyKYLVAIIXIMNTSR-UHFFFAOYSA-N
XLogP-0.46
TPSA122.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(aminomethyl)-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide
CID 114326595
2-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]pyridine-4-carboxamide
CID 114326314
2-(aminomethyl)-N-[1-(3,4-dichlorophenyl)ethyl]pyridine-4-carboxamide
CID 114326268
3-hydroxy-4-iodo-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 114103230
N-[1-(2H-tetrazol-5-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 60911386
3-propan-2-yloxy-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 62920337
2-(aminomethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]pyridine-4-carboxamide
CID 114326876
2-(aminomethyl)-N-(3-methylpentan-2-yl)pyridine-4-carboxamide
CID 114326347
2-(aminomethyl)-N-[1-(2,5-difluorophenyl)ethyl]pyridine-4-carboxamide
CID 114325748
4-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 60910753
2-(aminomethyl)-N-(4-methoxybutan-2-yl)pyridine-4-carboxamide
CID 113277873
ethyl 2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]propanoate
CID 113277806

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-4-carboxamide (CID 114326404) is 2-(aminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-4-carboxamide is CC(NC(=O)c1ccnc(CN)c1)c1nn[nH]n1.
What is the InChIKey of 2-(aminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is KYLVAIIXIMNTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N7O/c1-6(9-14-16-17-15-9)13-10(18)7-2-3-12-8(4-7)5-11/h2-4,6H,5,11H2,1H3,(H,13,18)(H,14,15,16,17).
What are the key properties of 2-(aminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-4-carboxamide?
2-(aminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 247.26 g/mol, XLogP of -0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 114326404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).