N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclopentyl]-6-methylpyridine-3-carboxamide

C18H26N4O3 — CID 110127719

IUPACN-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclopentyl]-6-methylpyridine-3-carboxamide
SMILESCC(=O)N1CCN([C@@H]2CC[C@@H](NC(=O)c3ccc(C)nc3)[C@H]2O)CC1
InChIInChI=1S/C18H26N4O3/c1-12-3-4-14(11-19-12)18(25)20-15-5-6-16(17(15)24)22-9-7-21(8-10-22)13(2)23/h3-4,11,15-17,24H,5-10H2,1-2H3,(H,20,25)/t15-,16-,17-/m1/s1
InChIKeyUCVDSOSHTYORCJ-BRWVUGGUSA-N
MW346.43 g/mol
LogP0.18
Rot. Bonds3

About N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclopentyl]-6-methylpyridine-3-carboxamide

N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclopentyl]-6-methylpyridine-3-carboxamide (PubChem CID 110127719) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclopentyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclopentyl]-6-methylpyridine-3-carboxamide
PubChem CID110127719
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC NameN-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclopentyl]-6-methylpyridine-3-carboxamide
SMILESCC(=O)N1CCN([C@@H]2CC[C@@H](NC(=O)c3ccc(C)nc3)[C@H]2O)CC1
InChIInChI=1S/C18H26N4O3/c1-12-3-4-14(11-19-12)18(25)20-15-5-6-16(17(15)24)22-9-7-21(8-10-22)13(2)23/h3-4,11,15-17,24H,5-10H2,1-2H3,(H,20,25)/t15-,16-,17-/m1/s1
InChIKeyUCVDSOSHTYORCJ-BRWVUGGUSA-N
XLogP0.18
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclopentyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclopentyl]-6-methylpyridine-3-carboxamide (CID 110127719) is N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclopentyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclopentyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclopentyl]-6-methylpyridine-3-carboxamide is CC(=O)N1CCN([C@@H]2CC[C@@H](NC(=O)c3ccc(C)nc3)[C@H]2O)CC1.
What is the InChIKey of N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclopentyl]-6-methylpyridine-3-carboxamide?
The InChIKey is UCVDSOSHTYORCJ-BRWVUGGUSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-12-3-4-14(11-19-12)18(25)20-15-5-6-16(17(15)24)22-9-7-21(8-10-22)13(2)23/h3-4,11,15-17,24H,5-10H2,1-2H3,(H,20,25)/t15-,16-,17-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclopentyl]-6-methylpyridine-3-carboxamide?
N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclopentyl]-6-methylpyridine-3-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclopentyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 110127719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).