[(2S)-4-[(2-amino-3-pyridinyl)methyl]-7-cyano-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamic acid

C19H17N5O2 — CID 150832588

IUPAC[(2S)-4-[(2-amino-3-pyridinyl)methyl]-7-cyano-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamic acid
SMILESN#Cc1ccc2c(c1)c1c(n2Cc2cccnc2N)C[C@@H](NC(=O)O)C1
InChIInChI=1S/C19H17N5O2/c20-9-11-3-4-16-14(6-11)15-7-13(23-19(25)26)8-17(15)24(16)10-12-2-1-5-22-18(12)21/h1-6,13,23H,7-8,10H2,(H2,21,22)(H,25,26)/t13-/m0/s1
InChIKeyKMGZFWJYXMMASF-ZDUSSCGKSA-N
MW347.38 g/mol
LogP2.27
Rot. Bonds3

About [(2S)-4-[(2-amino-3-pyridinyl)methyl]-7-cyano-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamic acid

[(2S)-4-[(2-amino-3-pyridinyl)methyl]-7-cyano-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamic acid (PubChem CID 150832588) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is [(2S)-4-[(2-amino-3-pyridinyl)methyl]-7-cyano-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S)-4-[(2-amino-3-pyridinyl)methyl]-7-cyano-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamic acid
PubChem CID150832588
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name[(2S)-4-[(2-amino-3-pyridinyl)methyl]-7-cyano-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamic acid
SMILESN#Cc1ccc2c(c1)c1c(n2Cc2cccnc2N)C[C@@H](NC(=O)O)C1
InChIInChI=1S/C19H17N5O2/c20-9-11-3-4-16-14(6-11)15-7-13(23-19(25)26)8-17(15)24(16)10-12-2-1-5-22-18(12)21/h1-6,13,23H,7-8,10H2,(H2,21,22)(H,25,26)/t13-/m0/s1
InChIKeyKMGZFWJYXMMASF-ZDUSSCGKSA-N
XLogP2.27
TPSA116.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S)-4-[(2-amino-3-pyridinyl)methyl]-7-cyano-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamic acid?
The IUPAC name of [(2S)-4-[(2-amino-3-pyridinyl)methyl]-7-cyano-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamic acid (CID 150832588) is [(2S)-4-[(2-amino-3-pyridinyl)methyl]-7-cyano-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamic acid.
What is the SMILES notation for [(2S)-4-[(2-amino-3-pyridinyl)methyl]-7-cyano-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamic acid?
The canonical SMILES for [(2S)-4-[(2-amino-3-pyridinyl)methyl]-7-cyano-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamic acid is N#Cc1ccc2c(c1)c1c(n2Cc2cccnc2N)C[C@@H](NC(=O)O)C1.
What is the InChIKey of [(2S)-4-[(2-amino-3-pyridinyl)methyl]-7-cyano-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamic acid?
The InChIKey is KMGZFWJYXMMASF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H17N5O2/c20-9-11-3-4-16-14(6-11)15-7-13(23-19(25)26)8-17(15)24(16)10-12-2-1-5-22-18(12)21/h1-6,13,23H,7-8,10H2,(H2,21,22)(H,25,26)/t13-/m0/s1.
What are the key properties of [(2S)-4-[(2-amino-3-pyridinyl)methyl]-7-cyano-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamic acid?
[(2S)-4-[(2-amino-3-pyridinyl)methyl]-7-cyano-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamic acid has a molecular weight of 347.38 g/mol, XLogP of 2.27, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-[(2-amino-3-pyridinyl)methyl]-7-cyano-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamic acid is sourced from PubChem (CID 150832588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).