N-(oxan-4-ylmethyl)-3-[[4-(tetrazol-2-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide

C25H25N7O3 — CID 58973457

IUPACN-(oxan-4-ylmethyl)-3-[[4-(tetrazol-2-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
SMILESO=C(NCC1CCOCC1)c1ncccc1NC(=O)c1ccc(Cn2ncnn2)c2ccccc12
InChIInChI=1S/C25H25N7O3/c33-24(21-8-7-18(15-32-29-16-28-31-32)19-4-1-2-5-20(19)21)30-22-6-3-11-26-23(22)25(34)27-14-17-9-12-35-13-10-17/h1-8,11,16-17H,9-10,12-15H2,(H,27,34)(H,30,33)
InChIKeyLYBJHGWZLOUVDV-UHFFFAOYSA-N
MW471.52 g/mol
LogP2.68
Rot. Bonds7

About N-(oxan-4-ylmethyl)-3-[[4-(tetrazol-2-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide

N-(oxan-4-ylmethyl)-3-[[4-(tetrazol-2-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide (PubChem CID 58973457) has the molecular formula C25H25N7O3 and a molecular weight of 471.52 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)-3-[[4-(tetrazol-2-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)-3-[[4-(tetrazol-2-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
PubChem CID58973457
Molecular FormulaC25H25N7O3
Molecular Weight471.52 g/mol
Exact Mass471.20
IUPAC NameN-(oxan-4-ylmethyl)-3-[[4-(tetrazol-2-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
SMILESO=C(NCC1CCOCC1)c1ncccc1NC(=O)c1ccc(Cn2ncnn2)c2ccccc12
InChIInChI=1S/C25H25N7O3/c33-24(21-8-7-18(15-32-29-16-28-31-32)19-4-1-2-5-20(19)21)30-22-6-3-11-26-23(22)25(34)27-14-17-9-12-35-13-10-17/h1-8,11,16-17H,9-10,12-15H2,(H,27,34)(H,30,33)
InChIKeyLYBJHGWZLOUVDV-UHFFFAOYSA-N
XLogP2.68
TPSA123.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.52
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)-3-[[4-(tetrazol-2-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide?
The IUPAC name of N-(oxan-4-ylmethyl)-3-[[4-(tetrazol-2-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide (CID 58973457) is N-(oxan-4-ylmethyl)-3-[[4-(tetrazol-2-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for N-(oxan-4-ylmethyl)-3-[[4-(tetrazol-2-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide?
The canonical SMILES for N-(oxan-4-ylmethyl)-3-[[4-(tetrazol-2-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide is O=C(NCC1CCOCC1)c1ncccc1NC(=O)c1ccc(Cn2ncnn2)c2ccccc12.
What is the InChIKey of N-(oxan-4-ylmethyl)-3-[[4-(tetrazol-2-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide?
The InChIKey is LYBJHGWZLOUVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O3/c33-24(21-8-7-18(15-32-29-16-28-31-32)19-4-1-2-5-20(19)21)30-22-6-3-11-26-23(22)25(34)27-14-17-9-12-35-13-10-17/h1-8,11,16-17H,9-10,12-15H2,(H,27,34)(H,30,33).
What are the key properties of N-(oxan-4-ylmethyl)-3-[[4-(tetrazol-2-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide?
N-(oxan-4-ylmethyl)-3-[[4-(tetrazol-2-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide has a molecular weight of 471.52 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)-3-[[4-(tetrazol-2-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 58973457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).