N-[(1S)-1-amino-2,3-dihydro-1H-inden-5-yl]-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide

C22H21N3O2 — CID 166329777

IUPACN-[(1S)-1-amino-2,3-dihydro-1H-inden-5-yl]-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide
SMILESCc1[nH]c(=O)c(C(=O)Nc2ccc3c(c2)CC[C@@H]3N)cc1-c1ccccc1
InChIInChI=1S/C22H21N3O2/c1-13-18(14-5-3-2-4-6-14)12-19(21(26)24-13)22(27)25-16-8-9-17-15(11-16)7-10-20(17)23/h2-6,8-9,11-12,20H,7,10,23H2,1H3,(H,24,26)(H,25,27)/t20-/m0/s1
InChIKeyPMIOGESJXSOKEC-FQEVSTJZSA-N
MW359.43 g/mol
LogP3.55
Rot. Bonds3

About N-[(1S)-1-amino-2,3-dihydro-1H-inden-5-yl]-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide

N-[(1S)-1-amino-2,3-dihydro-1H-inden-5-yl]-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide (PubChem CID 166329777) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[(1S)-1-amino-2,3-dihydro-1H-inden-5-yl]-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-amino-2,3-dihydro-1H-inden-5-yl]-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide
PubChem CID166329777
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-[(1S)-1-amino-2,3-dihydro-1H-inden-5-yl]-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide
SMILESCc1[nH]c(=O)c(C(=O)Nc2ccc3c(c2)CC[C@@H]3N)cc1-c1ccccc1
InChIInChI=1S/C22H21N3O2/c1-13-18(14-5-3-2-4-6-14)12-19(21(26)24-13)22(27)25-16-8-9-17-15(11-16)7-10-20(17)23/h2-6,8-9,11-12,20H,7,10,23H2,1H3,(H,24,26)(H,25,27)/t20-/m0/s1
InChIKeyPMIOGESJXSOKEC-FQEVSTJZSA-N
XLogP3.55
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-amino-2,3-dihydro-1H-inden-5-yl]-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(1S)-1-amino-2,3-dihydro-1H-inden-5-yl]-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide (CID 166329777) is N-[(1S)-1-amino-2,3-dihydro-1H-inden-5-yl]-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-amino-2,3-dihydro-1H-inden-5-yl]-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(1S)-1-amino-2,3-dihydro-1H-inden-5-yl]-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide is Cc1[nH]c(=O)c(C(=O)Nc2ccc3c(c2)CC[C@@H]3N)cc1-c1ccccc1.
What is the InChIKey of N-[(1S)-1-amino-2,3-dihydro-1H-inden-5-yl]-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide?
The InChIKey is PMIOGESJXSOKEC-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-13-18(14-5-3-2-4-6-14)12-19(21(26)24-13)22(27)25-16-8-9-17-15(11-16)7-10-20(17)23/h2-6,8-9,11-12,20H,7,10,23H2,1H3,(H,24,26)(H,25,27)/t20-/m0/s1.
What are the key properties of N-[(1S)-1-amino-2,3-dihydro-1H-inden-5-yl]-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide?
N-[(1S)-1-amino-2,3-dihydro-1H-inden-5-yl]-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 3.55, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-amino-2,3-dihydro-1H-inden-5-yl]-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 166329777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).