N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

C19H21N3O2 — CID 72843502

IUPACN-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESCOc1nc2c(cc1C(=O)N[C@H]1Cc3ccccc3[C@@H]1N)CCC2
InChIInChI=1S/C19H21N3O2/c1-24-19-14(9-12-6-4-8-15(12)22-19)18(23)21-16-10-11-5-2-3-7-13(11)17(16)20/h2-3,5,7,9,16-17H,4,6,8,10,20H2,1H3,(H,21,23)/t16-,17-/m0/s1
InChIKeyNIYGJMZZEODGJG-IRXDYDNUSA-N
MW323.40 g/mol
LogP1.93
Rot. Bonds3

About N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (PubChem CID 72843502) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
PubChem CID72843502
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESCOc1nc2c(cc1C(=O)N[C@H]1Cc3ccccc3[C@@H]1N)CCC2
InChIInChI=1S/C19H21N3O2/c1-24-19-14(9-12-6-4-8-15(12)22-19)18(23)21-16-10-11-5-2-3-7-13(11)17(16)20/h2-3,5,7,9,16-17H,4,6,8,10,20H2,1H3,(H,21,23)/t16-,17-/m0/s1
InChIKeyNIYGJMZZEODGJG-IRXDYDNUSA-N
XLogP1.93
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (CID 72843502) is N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is COc1nc2c(cc1C(=O)N[C@H]1Cc3ccccc3[C@@H]1N)CCC2.
What is the InChIKey of N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The InChIKey is NIYGJMZZEODGJG-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-24-19-14(9-12-6-4-8-15(12)22-19)18(23)21-16-10-11-5-2-3-7-13(11)17(16)20/h2-3,5,7,9,16-17H,4,6,8,10,20H2,1H3,(H,21,23)/t16-,17-/m0/s1.
What are the key properties of N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 72843502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).