6-methoxy-N-[(1R,2S)-2-(4-propan-2-ylpiperazine-1-carbonyl)cyclopentyl]pyridine-3-carboxamide

C20H30N4O3 — CID 91912962

IUPAC6-methoxy-N-[(1R,2S)-2-(4-propan-2-ylpiperazine-1-carbonyl)cyclopentyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)N2CCN(C(C)C)CC2)cn1
InChIInChI=1S/C20H30N4O3/c1-14(2)23-9-11-24(12-10-23)20(26)16-5-4-6-17(16)22-19(25)15-7-8-18(27-3)21-13-15/h7-8,13-14,16-17H,4-6,9-12H2,1-3H3,(H,22,25)/t16-,17+/m0/s1
InChIKeyAXLCNSDPRGPDEG-DLBZAZTESA-N
MW374.49 g/mol
LogP1.54
Rot. Bonds5

About 6-methoxy-N-[(1R,2S)-2-(4-propan-2-ylpiperazine-1-carbonyl)cyclopentyl]pyridine-3-carboxamide

6-methoxy-N-[(1R,2S)-2-(4-propan-2-ylpiperazine-1-carbonyl)cyclopentyl]pyridine-3-carboxamide (PubChem CID 91912962) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 6-methoxy-N-[(1R,2S)-2-(4-propan-2-ylpiperazine-1-carbonyl)cyclopentyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[(1R,2S)-2-(4-propan-2-ylpiperazine-1-carbonyl)cyclopentyl]pyridine-3-carboxamide
PubChem CID91912962
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name6-methoxy-N-[(1R,2S)-2-(4-propan-2-ylpiperazine-1-carbonyl)cyclopentyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)N2CCN(C(C)C)CC2)cn1
InChIInChI=1S/C20H30N4O3/c1-14(2)23-9-11-24(12-10-23)20(26)16-5-4-6-17(16)22-19(25)15-7-8-18(27-3)21-13-15/h7-8,13-14,16-17H,4-6,9-12H2,1-3H3,(H,22,25)/t16-,17+/m0/s1
InChIKeyAXLCNSDPRGPDEG-DLBZAZTESA-N
XLogP1.54
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-methoxy-N-[(1R,2S)-2-(4-propan-2-ylpiperazine-1-carbonyl)cyclopentyl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopentyl]-6-methoxypyridine-3-carboxamide
CID 156611156
N-[2-(hydroxymethyl)cyclopentyl]-6-methoxypyridine-3-carboxamide
CID 113259274
6-methoxy-N-[(1R,2S)-2-(3-propan-2-yloxypropylcarbamoyl)cyclopentyl]pyridine-3-carboxamide
CID 91913037
6-methoxy-N-[(1R,2S)-2-(3-methoxypropylcarbamoyl)cyclopentyl]pyridine-3-carboxamide
CID 91925645
N-cyclopropyl-2-[4-(6-methoxypyridine-3-carbonyl)piperazin-1-yl]propanamide
CID 51329173
(6-methoxy-3-pyridinyl)-(4-propan-2-yl-1,4-diazepan-1-yl)methanone;(4-propan-2-yl-1,4-diazepan-1-yl)-pyridin-2-ylmethanone
CID 162132855
N-[(1R,2S)-2-(4-methylpiperidine-1-carbonyl)cyclopentyl]pyridine-4-carboxamide
CID 91925633
[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 96500930
6-methoxy-N-[(3R,4R)-1-methyl-4-(methylcarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 110107610
ethyl 4-[(6-methoxypyridine-3-carbonyl)amino]piperidine-1-carboxylate
CID 31844781
N-[1-(furan-3-carbonyl)piperidin-4-yl]-6-methoxypyridine-3-carboxamide
CID 38214016
6-bromo-N-(1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide
CID 66462526

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(1R,2S)-2-(4-propan-2-ylpiperazine-1-carbonyl)cyclopentyl]pyridine-3-carboxamide?
The IUPAC name of 6-methoxy-N-[(1R,2S)-2-(4-propan-2-ylpiperazine-1-carbonyl)cyclopentyl]pyridine-3-carboxamide (CID 91912962) is 6-methoxy-N-[(1R,2S)-2-(4-propan-2-ylpiperazine-1-carbonyl)cyclopentyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-[(1R,2S)-2-(4-propan-2-ylpiperazine-1-carbonyl)cyclopentyl]pyridine-3-carboxamide?
The canonical SMILES for 6-methoxy-N-[(1R,2S)-2-(4-propan-2-ylpiperazine-1-carbonyl)cyclopentyl]pyridine-3-carboxamide is COc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)N2CCN(C(C)C)CC2)cn1.
What is the InChIKey of 6-methoxy-N-[(1R,2S)-2-(4-propan-2-ylpiperazine-1-carbonyl)cyclopentyl]pyridine-3-carboxamide?
The InChIKey is AXLCNSDPRGPDEG-DLBZAZTESA-N. The full InChI is InChI=1S/C20H30N4O3/c1-14(2)23-9-11-24(12-10-23)20(26)16-5-4-6-17(16)22-19(25)15-7-8-18(27-3)21-13-15/h7-8,13-14,16-17H,4-6,9-12H2,1-3H3,(H,22,25)/t16-,17+/m0/s1.
What are the key properties of 6-methoxy-N-[(1R,2S)-2-(4-propan-2-ylpiperazine-1-carbonyl)cyclopentyl]pyridine-3-carboxamide?
6-methoxy-N-[(1R,2S)-2-(4-propan-2-ylpiperazine-1-carbonyl)cyclopentyl]pyridine-3-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(1R,2S)-2-(4-propan-2-ylpiperazine-1-carbonyl)cyclopentyl]pyridine-3-carboxamide is sourced from PubChem (CID 91912962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).