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

C27H29N7O4 — CID 3180509

IUPACN-cyclopentyl-2-(2-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide
SMILESCOc1ccccc1N(C(=O)Cn1nnc(-c2ccc(C)o2)n1)C(C(=O)NC1CCCC1)c1ccncc1
InChIInChI=1S/C27H29N7O4/c1-18-11-12-23(38-18)26-30-32-33(31-26)17-24(35)34(21-9-5-6-10-22(21)37-2)25(19-13-15-28-16-14-19)27(36)29-20-7-3-4-8-20/h5-6,9-16,20,25H,3-4,7-8,17H2,1-2H3,(H,29,36)
InChIKeyMTNSHXBIMXJASV-UHFFFAOYSA-N
MW515.57 g/mol
LogP3.48
Rot. Bonds9

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

N-cyclopentyl-2-(2-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide (PubChem CID 3180509) has the molecular formula C27H29N7O4 and a molecular weight of 515.57 g/mol. Its IUPAC name is N-cyclopentyl-2-(2-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(2-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide
PubChem CID3180509
Molecular FormulaC27H29N7O4
Molecular Weight515.57 g/mol
Exact Mass515.23
IUPAC NameN-cyclopentyl-2-(2-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide
SMILESCOc1ccccc1N(C(=O)Cn1nnc(-c2ccc(C)o2)n1)C(C(=O)NC1CCCC1)c1ccncc1
InChIInChI=1S/C27H29N7O4/c1-18-11-12-23(38-18)26-30-32-33(31-26)17-24(35)34(21-9-5-6-10-22(21)37-2)25(19-13-15-28-16-14-19)27(36)29-20-7-3-4-8-20/h5-6,9-16,20,25H,3-4,7-8,17H2,1-2H3,(H,29,36)
InChIKeyMTNSHXBIMXJASV-UHFFFAOYSA-N
XLogP3.48
TPSA128.27 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.57
LogP ≤ 53.48
H-Bond Donors ≤ 51
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
2-((2-Methoxy-phenyl)-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-pentanoic acid cyclopentylamide
CID 647713
N-(tert-Butylcarbamoyl-methyl)-N-(2-methoxy-phenyl)-2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetamide
CID 648211
N-Cyclohexylcarbamoylmethyl-2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-N-quinolin-3-yl-acetamide
CID 655643
N-Cyclopentylcarbamoylmethyl-N-(2-methoxy-5-methyl-phenyl)-2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetamide
CID 3179808
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-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-p-tolyl-amino)-2-pyridin-4-yl-acetamide
CID 3180486
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
Furan-2-carboxylic acid {[(cyclopentylcarbamoyl-pyridin-4-yl-methyl)-(2-methoxy-phenyl)-carbamoyl]-methyl}-amide
CID 3211599
2-[4-(2-Ethoxy-phenyl)-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl]-N-furan-2-ylmethyl-acetamide
CID 650326

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(2-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide?
The IUPAC name of N-cyclopentyl-2-(2-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide (CID 3180509) is N-cyclopentyl-2-(2-methoxy-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-(2-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide?
The canonical SMILES for N-cyclopentyl-2-(2-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide is COc1ccccc1N(C(=O)Cn1nnc(-c2ccc(C)o2)n1)C(C(=O)NC1CCCC1)c1ccncc1.
What is the InChIKey of N-cyclopentyl-2-(2-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide?
The InChIKey is MTNSHXBIMXJASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O4/c1-18-11-12-23(38-18)26-30-32-33(31-26)17-24(35)34(21-9-5-6-10-22(21)37-2)25(19-13-15-28-16-14-19)27(36)29-20-7-3-4-8-20/h5-6,9-16,20,25H,3-4,7-8,17H2,1-2H3,(H,29,36).
What are the key properties of N-cyclopentyl-2-(2-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide?
N-cyclopentyl-2-(2-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide has a molecular weight of 515.57 g/mol, XLogP of 3.48, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(2-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide is sourced from PubChem (CID 3180509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).