N-[(1R,2S)-2-[3-(dimethylamino)propylcarbamoyl]cyclopentyl]-6-methoxypyridine-3-carboxamide

C18H28N4O3 — CID 91925651

IUPACN-[(1R,2S)-2-[3-(dimethylamino)propylcarbamoyl]cyclopentyl]-6-methoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)NCCCN(C)C)cn1
InChIInChI=1S/C18H28N4O3/c1-22(2)11-5-10-19-18(24)14-6-4-7-15(14)21-17(23)13-8-9-16(25-3)20-12-13/h8-9,12,14-15H,4-7,10-11H2,1-3H3,(H,19,24)(H,21,23)/t14-,15+/m0/s1
InChIKeyFIAFNQCNTCNZSZ-LSDHHAIUSA-N
MW348.45 g/mol
LogP1.06
Rot. Bonds8

About N-[(1R,2S)-2-[3-(dimethylamino)propylcarbamoyl]cyclopentyl]-6-methoxypyridine-3-carboxamide

N-[(1R,2S)-2-[3-(dimethylamino)propylcarbamoyl]cyclopentyl]-6-methoxypyridine-3-carboxamide (PubChem CID 91925651) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[(1R,2S)-2-[3-(dimethylamino)propylcarbamoyl]cyclopentyl]-6-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-[3-(dimethylamino)propylcarbamoyl]cyclopentyl]-6-methoxypyridine-3-carboxamide
PubChem CID91925651
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC NameN-[(1R,2S)-2-[3-(dimethylamino)propylcarbamoyl]cyclopentyl]-6-methoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)NCCCN(C)C)cn1
InChIInChI=1S/C18H28N4O3/c1-22(2)11-5-10-19-18(24)14-6-4-7-15(14)21-17(23)13-8-9-16(25-3)20-12-13/h8-9,12,14-15H,4-7,10-11H2,1-3H3,(H,19,24)(H,21,23)/t14-,15+/m0/s1
InChIKeyFIAFNQCNTCNZSZ-LSDHHAIUSA-N
XLogP1.06
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-[3-(dimethylamino)propylcarbamoyl]cyclopentyl]-6-methoxypyridine-3-carboxamide?
The IUPAC name of N-[(1R,2S)-2-[3-(dimethylamino)propylcarbamoyl]cyclopentyl]-6-methoxypyridine-3-carboxamide (CID 91925651) is N-[(1R,2S)-2-[3-(dimethylamino)propylcarbamoyl]cyclopentyl]-6-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-[3-(dimethylamino)propylcarbamoyl]cyclopentyl]-6-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-[3-(dimethylamino)propylcarbamoyl]cyclopentyl]-6-methoxypyridine-3-carboxamide is COc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)NCCCN(C)C)cn1.
What is the InChIKey of N-[(1R,2S)-2-[3-(dimethylamino)propylcarbamoyl]cyclopentyl]-6-methoxypyridine-3-carboxamide?
The InChIKey is FIAFNQCNTCNZSZ-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-22(2)11-5-10-19-18(24)14-6-4-7-15(14)21-17(23)13-8-9-16(25-3)20-12-13/h8-9,12,14-15H,4-7,10-11H2,1-3H3,(H,19,24)(H,21,23)/t14-,15+/m0/s1.
What are the key properties of N-[(1R,2S)-2-[3-(dimethylamino)propylcarbamoyl]cyclopentyl]-6-methoxypyridine-3-carboxamide?
N-[(1R,2S)-2-[3-(dimethylamino)propylcarbamoyl]cyclopentyl]-6-methoxypyridine-3-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 1.06, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-[3-(dimethylamino)propylcarbamoyl]cyclopentyl]-6-methoxypyridine-3-carboxamide is sourced from PubChem (CID 91925651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).