N-cyclopentyl-2-(4-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide

C27H29N7O3 — CID 3180486

IUPACN-cyclopentyl-2-(4-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide
SMILESCc1ccc(N(C(=O)Cn2nnc(-c3ccc(C)o3)n2)C(C(=O)NC2CCCC2)c2ccncc2)cc1
InChIInChI=1S/C27H29N7O3/c1-18-7-10-22(11-8-18)34(24(35)17-33-31-26(30-32-33)23-12-9-19(2)37-23)25(20-13-15-28-16-14-20)27(36)29-21-5-3-4-6-21/h7-16,21,25H,3-6,17H2,1-2H3,(H,29,36)
InChIKeyFOBSNRVVZVZBQO-UHFFFAOYSA-N
MW499.58 g/mol
LogP3.78
Rot. Bonds8

About N-cyclopentyl-2-(4-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide

N-cyclopentyl-2-(4-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide (PubChem CID 3180486) has the molecular formula C27H29N7O3 and a molecular weight of 499.58 g/mol. Its IUPAC name is N-cyclopentyl-2-(4-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(4-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide
PubChem CID3180486
Molecular FormulaC27H29N7O3
Molecular Weight499.58 g/mol
Exact Mass499.23
IUPAC NameN-cyclopentyl-2-(4-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide
SMILESCc1ccc(N(C(=O)Cn2nnc(-c3ccc(C)o3)n2)C(C(=O)NC2CCCC2)c2ccncc2)cc1
InChIInChI=1S/C27H29N7O3/c1-18-7-10-22(11-8-18)34(24(35)17-33-31-26(30-32-33)23-12-9-19(2)37-23)25(20-13-15-28-16-14-20)27(36)29-21-5-3-4-6-21/h7-16,21,25H,3-6,17H2,1-2H3,(H,29,36)
InChIKeyFOBSNRVVZVZBQO-UHFFFAOYSA-N
XLogP3.78
TPSA119.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.58
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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
3-[(1-Cyclopentyl-1H-tetrazol-5-yl)-(furan-2-ylmethyl-pyridin-3-ylmethyl-amino)-methyl]-6-methyl-1H-quinolin-2-one
CID 652016
2-[5-(5-Methyl-furan-2-yl)-tetrazol-2-yl]-N-quinolin-8-yl-acetamide
CID 653212
4-(5-Furan-2-yl-4-p-tolyl-4H-[1,2,4]triazol-3-yl)-pyridine
CID 654581
N-Cyclohexylcarbamoylmethyl-2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-N-quinolin-3-yl-acetamide
CID 655643
N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-(3-methylphenyl)acetamide
CID 1153911
N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide
CID 1153917
N-Cyclopentyl-2-((2-fluoro-benzyl)-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-2-pyridin-4-yl-acetamide
CID 3180457
N-Cyclopentyl-2-((4-fluoro-benzyl)-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-2-pyridin-4-yl-acetamide
CID 3180459
N-Cyclopentyl-2-((2-methoxy-phenyl)-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-2-pyridin-4-yl-acetamide
CID 3180509
N-(Isopropylcarbamoyl-methyl)-2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-N-quinolin-3-yl-acetamide
CID 653591
N-Cyclopentyl-2-((2-fluoro-phenyl)-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-2-pyridin-4-yl-acetamide
CID 3180498

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(4-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide?
The IUPAC name of N-cyclopentyl-2-(4-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide (CID 3180486) is N-cyclopentyl-2-(4-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-cyclopentyl-2-(4-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide?
The canonical SMILES for N-cyclopentyl-2-(4-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide is Cc1ccc(N(C(=O)Cn2nnc(-c3ccc(C)o3)n2)C(C(=O)NC2CCCC2)c2ccncc2)cc1.
What is the InChIKey of N-cyclopentyl-2-(4-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide?
The InChIKey is FOBSNRVVZVZBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O3/c1-18-7-10-22(11-8-18)34(24(35)17-33-31-26(30-32-33)23-12-9-19(2)37-23)25(20-13-15-28-16-14-20)27(36)29-21-5-3-4-6-21/h7-16,21,25H,3-6,17H2,1-2H3,(H,29,36).
What are the key properties of N-cyclopentyl-2-(4-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide?
N-cyclopentyl-2-(4-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide has a molecular weight of 499.58 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(4-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide is sourced from PubChem (CID 3180486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).