N-[(1S,3R)-3-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]cyclopentyl]-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carboxamide

C20H28N4O2 — CID 167812345

IUPACN-[(1S,3R)-3-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]cyclopentyl]-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carboxamide
SMILESCN1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](NC(=O)c2cncc3c2CCC3)C1
InChIInChI=1S/C20H28N4O2/c1-24-9-3-6-18(24)20(26)23-15-8-7-14(10-15)22-19(25)17-12-21-11-13-4-2-5-16(13)17/h11-12,14-15,18H,2-10H2,1H3,(H,22,25)(H,23,26)/t14-,15+,18-/m0/s1
InChIKeyGZGPFEZPLRPWPD-DAYGRLMNSA-N
MW356.47 g/mol
LogP1.43
Rot. Bonds4

About N-[(1S,3R)-3-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]cyclopentyl]-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carboxamide

N-[(1S,3R)-3-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]cyclopentyl]-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carboxamide (PubChem CID 167812345) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[(1S,3R)-3-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]cyclopentyl]-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S,3R)-3-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]cyclopentyl]-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carboxamide
PubChem CID167812345
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN-[(1S,3R)-3-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]cyclopentyl]-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carboxamide
SMILESCN1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](NC(=O)c2cncc3c2CCC3)C1
InChIInChI=1S/C20H28N4O2/c1-24-9-3-6-18(24)20(26)23-15-8-7-14(10-15)22-19(25)17-12-21-11-13-4-2-5-16(13)17/h11-12,14-15,18H,2-10H2,1H3,(H,22,25)(H,23,26)/t14-,15+,18-/m0/s1
InChIKeyGZGPFEZPLRPWPD-DAYGRLMNSA-N
XLogP1.43
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3R)-3-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]cyclopentyl]-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carboxamide?
The IUPAC name of N-[(1S,3R)-3-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]cyclopentyl]-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carboxamide (CID 167812345) is N-[(1S,3R)-3-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]cyclopentyl]-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1S,3R)-3-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]cyclopentyl]-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carboxamide?
The canonical SMILES for N-[(1S,3R)-3-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]cyclopentyl]-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carboxamide is CN1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](NC(=O)c2cncc3c2CCC3)C1.
What is the InChIKey of N-[(1S,3R)-3-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]cyclopentyl]-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carboxamide?
The InChIKey is GZGPFEZPLRPWPD-DAYGRLMNSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-24-9-3-6-18(24)20(26)23-15-8-7-14(10-15)22-19(25)17-12-21-11-13-4-2-5-16(13)17/h11-12,14-15,18H,2-10H2,1H3,(H,22,25)(H,23,26)/t14-,15+,18-/m0/s1.
What are the key properties of N-[(1S,3R)-3-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]cyclopentyl]-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carboxamide?
N-[(1S,3R)-3-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]cyclopentyl]-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3R)-3-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]cyclopentyl]-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carboxamide is sourced from PubChem (CID 167812345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).