N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-2-pyridin-4-ylacetamide

C25H31N7O4 — CID 3180443

IUPACN-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-2-pyridin-4-ylacetamide
SMILESCOc1ccc(-c2nnn(CC(=O)N(CCCO)C(C(=O)NC3CCCC3)c3ccncc3)n2)cc1
InChIInChI=1S/C25H31N7O4/c1-36-21-9-7-19(8-10-21)24-28-30-32(29-24)17-22(34)31(15-4-16-33)23(18-11-13-26-14-12-18)25(35)27-20-5-2-3-6-20/h7-14,20,23,33H,2-6,15-17H2,1H3,(H,27,35)
InChIKeyUYBKLFCUSHZKON-UHFFFAOYSA-N
MW493.57 g/mol
LogP1.75
Rot. Bonds11

About N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-2-pyridin-4-ylacetamide

N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-2-pyridin-4-ylacetamide (PubChem CID 3180443) has the molecular formula C25H31N7O4 and a molecular weight of 493.57 g/mol. Its IUPAC name is N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-2-pyridin-4-ylacetamide
PubChem CID3180443
Molecular FormulaC25H31N7O4
Molecular Weight493.57 g/mol
Exact Mass493.24
IUPAC NameN-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-2-pyridin-4-ylacetamide
SMILESCOc1ccc(-c2nnn(CC(=O)N(CCCO)C(C(=O)NC3CCCC3)c3ccncc3)n2)cc1
InChIInChI=1S/C25H31N7O4/c1-36-21-9-7-19(8-10-21)24-28-30-32(29-24)17-22(34)31(15-4-16-33)23(18-11-13-26-14-12-18)25(35)27-20-5-2-3-6-20/h7-14,20,23,33H,2-6,15-17H2,1H3,(H,27,35)
InChIKeyUYBKLFCUSHZKON-UHFFFAOYSA-N
XLogP1.75
TPSA135.36 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.57
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-(Benzyl-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-N-cyclopentyl-2-pyridin-4-yl-acetamide
CID 644684
4-((5-(2-(4-methoxybenzylcarbamoyl)pyridin-4-yl)-2H-tetrazol-2-yl)methyl)benzoic acid
CID 46225438
N-[(2-methoxyphenyl)methyl]-2-(5-pyridin-4-yltetrazol-2-yl)acetamide
CID 644968
2-(Benzyl-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-N-tert-butyl-2-pyridin-4-yl-acetamide
CID 652485
N-cyclopentyl-2-[2-hydroxyethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-2-pyridin-4-ylacetamide
CID 3180441
N-Cyclopentyl-2-((2-methoxy-5-methyl-phenyl)-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-2-pyridin-4-yl-acetamide
CID 3180515
N-cyclohexyl-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-pyridin-4-ylacetamide
CID 3180706
N-tert-butyl-2-[[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-[(3-methoxyphenyl)methyl]amino]-2-pyridin-4-ylacetamide
CID 3190098
N-(2-((6-(1H-pyrrol-1-yl)pyridazin-3-yl)amino)ethyl)-2-(4-methoxyphenyl)acetamide
CID 71799877
[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-[5-[4-(2-pyridyloxy)phenyl]tetrazol-2-yl]ethyl]tetrahydrofuran-2-yl]methyl N-[(2S,3S)-2-amino-3-methyl-pentanoyl]sulfamate
CID 483197
2-methyl-N-[(3E)-3-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]cyclopentyl]tetrazole-5-carboxamide
CID 89463166
Tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[5-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]tetrazol-2-yl]butanoate
CID 135203550

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-2-pyridin-4-ylacetamide?
The IUPAC name of N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-2-pyridin-4-ylacetamide (CID 3180443) is N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-2-pyridin-4-ylacetamide?
The canonical SMILES for N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-2-pyridin-4-ylacetamide is COc1ccc(-c2nnn(CC(=O)N(CCCO)C(C(=O)NC3CCCC3)c3ccncc3)n2)cc1.
What is the InChIKey of N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-2-pyridin-4-ylacetamide?
The InChIKey is UYBKLFCUSHZKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O4/c1-36-21-9-7-19(8-10-21)24-28-30-32(29-24)17-22(34)31(15-4-16-33)23(18-11-13-26-14-12-18)25(35)27-20-5-2-3-6-20/h7-14,20,23,33H,2-6,15-17H2,1H3,(H,27,35).
What are the key properties of N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-2-pyridin-4-ylacetamide?
N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-2-pyridin-4-ylacetamide has a molecular weight of 493.57 g/mol, XLogP of 1.75, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-2-pyridin-4-ylacetamide is sourced from PubChem (CID 3180443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).