5-(aminomethyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide

C16H17N3O2 — CID 107211881

IUPAC5-(aminomethyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
SMILESNCc1ccc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)nc1
InChIInChI=1S/C16H17N3O2/c17-8-10-5-6-13(18-9-10)16(21)19-15-12-4-2-1-3-11(12)7-14(15)20/h1-6,9,14-15,20H,7-8,17H2,(H,19,21)/t14-,15+/m0/s1
InChIKeyDLXFMTULCUJKSM-LSDHHAIUSA-N
MW283.33 g/mol
LogP0.93
Rot. Bonds3

About 5-(aminomethyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide

5-(aminomethyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide (PubChem CID 107211881) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
PubChem CID107211881
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name5-(aminomethyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
SMILESNCc1ccc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)nc1
InChIInChI=1S/C16H17N3O2/c17-8-10-5-6-13(18-9-10)16(21)19-15-12-4-2-1-3-11(12)7-14(15)20/h1-6,9,14-15,20H,7-8,17H2,(H,19,21)/t14-,15+/m0/s1
InChIKeyDLXFMTULCUJKSM-LSDHHAIUSA-N
XLogP0.93
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-(aminomethyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide with MolForge

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Related Compounds

5-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrazine-2-carboxamide
CID 107258059
6-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrazine-2-carboxamide
CID 106551559
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)thiadiazole-4-carboxamide
CID 65216329
6-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
CID 103816930
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-3-carboxamide
CID 103862965
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxamide
CID 104629828
2-(2-aminoethyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-4-carboxamide
CID 107221881
1-benzyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)triazole-4-carboxamide
CID 111658731
5-(aminomethyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyridine-2-carboxamide
CID 55230778
5-(aminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-2-carboxamide
CID 79351403
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-phenylpyrimidine-5-carboxamide
CID 111658856
1-(aminomethyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopropane-1-carboxamide
CID 107221819

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide (CID 107211881) is 5-(aminomethyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide is NCc1ccc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)nc1.
What is the InChIKey of 5-(aminomethyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide?
The InChIKey is DLXFMTULCUJKSM-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H17N3O2/c17-8-10-5-6-13(18-9-10)16(21)19-15-12-4-2-1-3-11(12)7-14(15)20/h1-6,9,14-15,20H,7-8,17H2,(H,19,21)/t14-,15+/m0/s1.
What are the key properties of 5-(aminomethyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide?
5-(aminomethyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 0.93, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 107211881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).