N-cyclohexyl-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-pyridin-4-ylacetamide

C23H29N7O4 — CID 3180706

IUPACN-cyclohexyl-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-pyridin-4-ylacetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(CCO)C(C(=O)NC3CCCCC3)c3ccncc3)n2)o1
InChIInChI=1S/C23H29N7O4/c1-16-7-8-19(34-16)22-26-28-30(27-22)15-20(32)29(13-14-31)21(17-9-11-24-12-10-17)23(33)25-18-5-3-2-4-6-18/h7-12,18,21,31H,2-6,13-15H2,1H3,(H,25,33)
InChIKeyHXRQUXXQZZTVPQ-UHFFFAOYSA-N
MW467.53 g/mol
LogP1.65
Rot. Bonds9

About N-cyclohexyl-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-pyridin-4-ylacetamide

N-cyclohexyl-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-pyridin-4-ylacetamide (PubChem CID 3180706) has the molecular formula C23H29N7O4 and a molecular weight of 467.53 g/mol. Its IUPAC name is N-cyclohexyl-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-pyridin-4-ylacetamide
PubChem CID3180706
Molecular FormulaC23H29N7O4
Molecular Weight467.53 g/mol
Exact Mass467.23
IUPAC NameN-cyclohexyl-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-pyridin-4-ylacetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(CCO)C(C(=O)NC3CCCCC3)c3ccncc3)n2)o1
InChIInChI=1S/C23H29N7O4/c1-16-7-8-19(34-16)22-26-28-30(27-22)15-20(32)29(13-14-31)21(17-9-11-24-12-10-17)23(33)25-18-5-3-2-4-6-18/h7-12,18,21,31H,2-6,13-15H2,1H3,(H,25,33)
InChIKeyHXRQUXXQZZTVPQ-UHFFFAOYSA-N
XLogP1.65
TPSA139.27 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-pyridin-4-ylacetamide?
The IUPAC name of N-cyclohexyl-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-pyridin-4-ylacetamide (CID 3180706) is N-cyclohexyl-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-pyridin-4-ylacetamide?
The canonical SMILES for N-cyclohexyl-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-pyridin-4-ylacetamide is Cc1ccc(-c2nnn(CC(=O)N(CCO)C(C(=O)NC3CCCCC3)c3ccncc3)n2)o1.
What is the InChIKey of N-cyclohexyl-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-pyridin-4-ylacetamide?
The InChIKey is HXRQUXXQZZTVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O4/c1-16-7-8-19(34-16)22-26-28-30(27-22)15-20(32)29(13-14-31)21(17-9-11-24-12-10-17)23(33)25-18-5-3-2-4-6-18/h7-12,18,21,31H,2-6,13-15H2,1H3,(H,25,33).
What are the key properties of N-cyclohexyl-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-pyridin-4-ylacetamide?
N-cyclohexyl-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-pyridin-4-ylacetamide has a molecular weight of 467.53 g/mol, XLogP of 1.65, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-pyridin-4-ylacetamide is sourced from PubChem (CID 3180706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).