5-(aminomethyl)-N-[(1R)-1-phenylethyl]pyridine-2-carboxamide

C15H17N3O — CID 107863938

IUPAC5-(aminomethyl)-N-[(1R)-1-phenylethyl]pyridine-2-carboxamide
SMILESC[C@@H](NC(=O)c1ccc(CN)cn1)c1ccccc1
InChIInChI=1S/C15H17N3O/c1-11(13-5-3-2-4-6-13)18-15(19)14-8-7-12(9-16)10-17-14/h2-8,10-11H,9,16H2,1H3,(H,18,19)/t11-/m1/s1
InChIKeyYKRHYBDPTGIQIY-LLVKDONJSA-N
MW255.32 g/mol
LogP2.03
Rot. Bonds4

About 5-(aminomethyl)-N-[(1R)-1-phenylethyl]pyridine-2-carboxamide

5-(aminomethyl)-N-[(1R)-1-phenylethyl]pyridine-2-carboxamide (PubChem CID 107863938) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[(1R)-1-phenylethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[(1R)-1-phenylethyl]pyridine-2-carboxamide
PubChem CID107863938
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name5-(aminomethyl)-N-[(1R)-1-phenylethyl]pyridine-2-carboxamide
SMILESC[C@@H](NC(=O)c1ccc(CN)cn1)c1ccccc1
InChIInChI=1S/C15H17N3O/c1-11(13-5-3-2-4-6-13)18-15(19)14-8-7-12(9-16)10-17-14/h2-8,10-11H,9,16H2,1H3,(H,18,19)/t11-/m1/s1
InChIKeyYKRHYBDPTGIQIY-LLVKDONJSA-N
XLogP2.03
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-2-carboxamide
CID 63722692
5-(aminomethyl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 63724718
5-(aminomethyl)-N-benzylpyridine-2-carboxamide
CID 55230776
2-[4-(aminomethyl)phenyl]-N-[(1R)-1-phenylethyl]acetamide
CID 107863936
5-(diethylamino)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280789
5-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid
CID 43414636
5-bromo-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 112520266
5-(3-bromoanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109188944
2-N-[(1S)-1-phenylethyl]-6-N-[(1R)-1-phenylethyl]pyridine-2,6-dicarboxamide
CID 139136791
5-[1-(4-ethylphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 120684793
5-(aminomethyl)-N-(2-methylbutyl)pyridine-2-carboxamide
CID 63723883
5-[2-(2-fluorophenyl)ethylamino]-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109188857

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[(1R)-1-phenylethyl]pyridine-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-[(1R)-1-phenylethyl]pyridine-2-carboxamide (CID 107863938) is 5-(aminomethyl)-N-[(1R)-1-phenylethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-[(1R)-1-phenylethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-[(1R)-1-phenylethyl]pyridine-2-carboxamide is C[C@@H](NC(=O)c1ccc(CN)cn1)c1ccccc1.
What is the InChIKey of 5-(aminomethyl)-N-[(1R)-1-phenylethyl]pyridine-2-carboxamide?
The InChIKey is YKRHYBDPTGIQIY-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17N3O/c1-11(13-5-3-2-4-6-13)18-15(19)14-8-7-12(9-16)10-17-14/h2-8,10-11H,9,16H2,1H3,(H,18,19)/t11-/m1/s1.
What are the key properties of 5-(aminomethyl)-N-[(1R)-1-phenylethyl]pyridine-2-carboxamide?
5-(aminomethyl)-N-[(1R)-1-phenylethyl]pyridine-2-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[(1R)-1-phenylethyl]pyridine-2-carboxamide is sourced from PubChem (CID 107863938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).