N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-[(3-hydroxypyrrolidin-1-yl)methyl]-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide

C20H29N4O3+ — CID 58023665

IUPACN-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-[(3-hydroxypyrrolidin-1-yl)methyl]-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide
SMILESO=C(NCC1(CO)CCCC1)c1[nH]c(CN2CCC(O)C2)[n+]2ccccc12
InChIInChI=1S/C20H28N4O3/c25-14-20(7-2-3-8-20)13-21-19(27)18-16-5-1-4-9-24(16)17(22-18)12-23-10-6-15(26)11-23/h1,4-5,9,15,25-26H,2-3,6-8,10-14H2,(H,21,27)/p+1
InChIKeyDQOCNWLEIPYRQU-UHFFFAOYSA-O
MW373.48 g/mol
LogP0.60
Rot. Bonds6

About N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-[(3-hydroxypyrrolidin-1-yl)methyl]-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide

N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-[(3-hydroxypyrrolidin-1-yl)methyl]-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide (PubChem CID 58023665) has the molecular formula C20H29N4O3+ and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-[(3-hydroxypyrrolidin-1-yl)methyl]-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-[(3-hydroxypyrrolidin-1-yl)methyl]-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide
PubChem CID58023665
Molecular FormulaC20H29N4O3+
Molecular Weight373.48 g/mol
Exact Mass373.22
IUPAC NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-[(3-hydroxypyrrolidin-1-yl)methyl]-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide
SMILESO=C(NCC1(CO)CCCC1)c1[nH]c(CN2CCC(O)C2)[n+]2ccccc12
InChIInChI=1S/C20H28N4O3/c25-14-20(7-2-3-8-20)13-21-19(27)18-16-5-1-4-9-24(16)17(22-18)12-23-10-6-15(26)11-23/h1,4-5,9,15,25-26H,2-3,6-8,10-14H2,(H,21,27)/p+1
InChIKeyDQOCNWLEIPYRQU-UHFFFAOYSA-O
XLogP0.60
TPSA92.69 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 50.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 111123150
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-[(3R)-3-hydroxypiperidin-1-yl]acetamide
CID 125446181
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-phenylacetamide
CID 110416748
2-[[1-(hydroxymethyl)cyclohexyl]methylcarbamoyl]benzoic acid
CID 103965490
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-iodobenzamide
CID 113294004
1-cyclobutyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrole-2-carboxamide
CID 114609745
1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylurea
CID 110642330
4-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1H-pyrazole-5-carboxamide
CID 113359537
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 115869201
2,6-dihydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 103890643
3-cyclopropyl-N-[[1-(hydroxymethyl)cyclobutyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 57453264
2-[1-[[(1-benzylpiperidine-3-carbonyl)amino]methyl]cyclohexyl]acetic acid
CID 167906199

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-[(3-hydroxypyrrolidin-1-yl)methyl]-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-[(3-hydroxypyrrolidin-1-yl)methyl]-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide (CID 58023665) is N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-[(3-hydroxypyrrolidin-1-yl)methyl]-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-[(3-hydroxypyrrolidin-1-yl)methyl]-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-[(3-hydroxypyrrolidin-1-yl)methyl]-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide is O=C(NCC1(CO)CCCC1)c1[nH]c(CN2CCC(O)C2)[n+]2ccccc12.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-[(3-hydroxypyrrolidin-1-yl)methyl]-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide?
The InChIKey is DQOCNWLEIPYRQU-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H28N4O3/c25-14-20(7-2-3-8-20)13-21-19(27)18-16-5-1-4-9-24(16)17(22-18)12-23-10-6-15(26)11-23/h1,4-5,9,15,25-26H,2-3,6-8,10-14H2,(H,21,27)/p+1.
What are the key properties of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-[(3-hydroxypyrrolidin-1-yl)methyl]-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide?
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-[(3-hydroxypyrrolidin-1-yl)methyl]-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 0.60, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-[(3-hydroxypyrrolidin-1-yl)methyl]-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide is sourced from PubChem (CID 58023665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).