5-[4-[[(3R)-3-[5-(cyclopropylmethyl)-6-oxo-1H-pyridin-2-yl]cyclopentyl]methylidene]piperazin-4-ium-1-yl]-N-methylpyridine-2-carboxamide

C26H34N5O2+ — CID 176560359

IUPAC5-[4-[[(3R)-3-[5-(cyclopropylmethyl)-6-oxo-1H-pyridin-2-yl]cyclopentyl]methylidene]piperazin-4-ium-1-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CC[N+](=CC3CC[C@@H](c4ccc(CC5CC5)c(=O)[nH]4)C3)CC2)cn1
InChIInChI=1S/C26H33N5O2/c1-27-26(33)24-9-7-22(16-28-24)31-12-10-30(11-13-31)17-19-4-5-20(15-19)23-8-6-21(25(32)29-23)14-18-2-3-18/h6-9,16-20H,2-5,10-15H2,1H3,(H-,27,29,32,33)/p+1/t19?,20-/m1/s1
InChIKeyFNUICNYTTQJKED-GFOWMXPYSA-O
MW448.59 g/mol
LogP2.57
Rot. Bonds6

About 5-[4-[[(3R)-3-[5-(cyclopropylmethyl)-6-oxo-1H-pyridin-2-yl]cyclopentyl]methylidene]piperazin-4-ium-1-yl]-N-methylpyridine-2-carboxamide

5-[4-[[(3R)-3-[5-(cyclopropylmethyl)-6-oxo-1H-pyridin-2-yl]cyclopentyl]methylidene]piperazin-4-ium-1-yl]-N-methylpyridine-2-carboxamide (PubChem CID 176560359) has the molecular formula C26H34N5O2+ and a molecular weight of 448.59 g/mol. Its IUPAC name is 5-[4-[[(3R)-3-[5-(cyclopropylmethyl)-6-oxo-1H-pyridin-2-yl]cyclopentyl]methylidene]piperazin-4-ium-1-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[[(3R)-3-[5-(cyclopropylmethyl)-6-oxo-1H-pyridin-2-yl]cyclopentyl]methylidene]piperazin-4-ium-1-yl]-N-methylpyridine-2-carboxamide
PubChem CID176560359
Molecular FormulaC26H34N5O2+
Molecular Weight448.59 g/mol
Exact Mass448.27
IUPAC Name5-[4-[[(3R)-3-[5-(cyclopropylmethyl)-6-oxo-1H-pyridin-2-yl]cyclopentyl]methylidene]piperazin-4-ium-1-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CC[N+](=CC3CC[C@@H](c4ccc(CC5CC5)c(=O)[nH]4)C3)CC2)cn1
InChIInChI=1S/C26H33N5O2/c1-27-26(33)24-9-7-22(16-28-24)31-12-10-30(11-13-31)17-19-4-5-20(15-19)23-8-6-21(25(32)29-23)14-18-2-3-18/h6-9,16-20H,2-5,10-15H2,1H3,(H-,27,29,32,33)/p+1/t19?,20-/m1/s1
InChIKeyFNUICNYTTQJKED-GFOWMXPYSA-O
XLogP2.57
TPSA81.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

5-[4-[(1S,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-N-(2-fluoroethyl)pyridine-2-carboxamide
CID 176560476
5-[4-[(1S,3R)-3-(7-fluoro-1-oxo-2H-isoquinolin-3-yl)cyclopentyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 176964801
5-[4-[3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide
CID 176560553
5-[4-[4-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 169149082
5-[4-[1-(5-ethyl-6-oxo-1H-pyridin-2-yl)-2-oxopyrrolidin-3-yl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 176560594
5-[4-[4-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 169149167
N-methyl-5-[4-[(1R,3R)-3-(5-oxo-2,3,4,6-tetrahydropyrano[3,2-c]pyridin-7-yl)cyclopentyl]piperazin-1-yl]pyridine-2-carboxamide
CID 176964547
5-[4-[(2,5-dimethyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 162524582
5-[2-[1-[(1R,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperidin-4-yl]ethyl]-N,6-dimethylpyridine-2-carboxamide
CID 176560723
6-chloro-5-[4-[(1S,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 176560429
5-[4-[(6R)-6-(5-ethyl-6-oxo-1H-pyrazin-2-yl)spiro[2.4]heptan-2-yl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 176560514
N-methyl-5-[3-[4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidin-1-yl]azetidin-1-yl]pyridine-2-carboxamide
CID 169148545

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[(3R)-3-[5-(cyclopropylmethyl)-6-oxo-1H-pyridin-2-yl]cyclopentyl]methylidene]piperazin-4-ium-1-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[4-[[(3R)-3-[5-(cyclopropylmethyl)-6-oxo-1H-pyridin-2-yl]cyclopentyl]methylidene]piperazin-4-ium-1-yl]-N-methylpyridine-2-carboxamide (CID 176560359) is 5-[4-[[(3R)-3-[5-(cyclopropylmethyl)-6-oxo-1H-pyridin-2-yl]cyclopentyl]methylidene]piperazin-4-ium-1-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[4-[[(3R)-3-[5-(cyclopropylmethyl)-6-oxo-1H-pyridin-2-yl]cyclopentyl]methylidene]piperazin-4-ium-1-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[4-[[(3R)-3-[5-(cyclopropylmethyl)-6-oxo-1H-pyridin-2-yl]cyclopentyl]methylidene]piperazin-4-ium-1-yl]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(N2CC[N+](=CC3CC[C@@H](c4ccc(CC5CC5)c(=O)[nH]4)C3)CC2)cn1.
What is the InChIKey of 5-[4-[[(3R)-3-[5-(cyclopropylmethyl)-6-oxo-1H-pyridin-2-yl]cyclopentyl]methylidene]piperazin-4-ium-1-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is FNUICNYTTQJKED-GFOWMXPYSA-O. The full InChI is InChI=1S/C26H33N5O2/c1-27-26(33)24-9-7-22(16-28-24)31-12-10-30(11-13-31)17-19-4-5-20(15-19)23-8-6-21(25(32)29-23)14-18-2-3-18/h6-9,16-20H,2-5,10-15H2,1H3,(H-,27,29,32,33)/p+1/t19?,20-/m1/s1.
What are the key properties of 5-[4-[[(3R)-3-[5-(cyclopropylmethyl)-6-oxo-1H-pyridin-2-yl]cyclopentyl]methylidene]piperazin-4-ium-1-yl]-N-methylpyridine-2-carboxamide?
5-[4-[[(3R)-3-[5-(cyclopropylmethyl)-6-oxo-1H-pyridin-2-yl]cyclopentyl]methylidene]piperazin-4-ium-1-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 448.59 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[(3R)-3-[5-(cyclopropylmethyl)-6-oxo-1H-pyridin-2-yl]cyclopentyl]methylidene]piperazin-4-ium-1-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 176560359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).