N-(2-aminoacetyl)-4-hexoxy-3-phenylmethoxypyridine-2-carboxamide

C21H27N3O4 — CID 15295477

IUPACN-(2-aminoacetyl)-4-hexoxy-3-phenylmethoxypyridine-2-carboxamide
SMILESCCCCCCOc1ccnc(C(=O)NC(=O)CN)c1OCc1ccccc1
InChIInChI=1S/C21H27N3O4/c1-2-3-4-8-13-27-17-11-12-23-19(21(26)24-18(25)14-22)20(17)28-15-16-9-6-5-7-10-16/h5-7,9-12H,2-4,8,13-15,22H2,1H3,(H,24,25,26)
InChIKeyAQBQIERRTWTGNC-UHFFFAOYSA-N
MW385.46 g/mol
LogP2.83
Rot. Bonds11

About N-(2-aminoacetyl)-4-hexoxy-3-phenylmethoxypyridine-2-carboxamide

N-(2-aminoacetyl)-4-hexoxy-3-phenylmethoxypyridine-2-carboxamide (PubChem CID 15295477) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is N-(2-aminoacetyl)-4-hexoxy-3-phenylmethoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoacetyl)-4-hexoxy-3-phenylmethoxypyridine-2-carboxamide
PubChem CID15295477
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC NameN-(2-aminoacetyl)-4-hexoxy-3-phenylmethoxypyridine-2-carboxamide
SMILESCCCCCCOc1ccnc(C(=O)NC(=O)CN)c1OCc1ccccc1
InChIInChI=1S/C21H27N3O4/c1-2-3-4-8-13-27-17-11-12-23-19(21(26)24-18(25)14-22)20(17)28-15-16-9-6-5-7-10-16/h5-7,9-12H,2-4,8,13-15,22H2,1H3,(H,24,25,26)
InChIKeyAQBQIERRTWTGNC-UHFFFAOYSA-N
XLogP2.83
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoacetyl)-4-hexoxy-3-phenylmethoxypyridine-2-carboxamide?
The IUPAC name of N-(2-aminoacetyl)-4-hexoxy-3-phenylmethoxypyridine-2-carboxamide (CID 15295477) is N-(2-aminoacetyl)-4-hexoxy-3-phenylmethoxypyridine-2-carboxamide.
What is the SMILES notation for N-(2-aminoacetyl)-4-hexoxy-3-phenylmethoxypyridine-2-carboxamide?
The canonical SMILES for N-(2-aminoacetyl)-4-hexoxy-3-phenylmethoxypyridine-2-carboxamide is CCCCCCOc1ccnc(C(=O)NC(=O)CN)c1OCc1ccccc1.
What is the InChIKey of N-(2-aminoacetyl)-4-hexoxy-3-phenylmethoxypyridine-2-carboxamide?
The InChIKey is AQBQIERRTWTGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-2-3-4-8-13-27-17-11-12-23-19(21(26)24-18(25)14-22)20(17)28-15-16-9-6-5-7-10-16/h5-7,9-12H,2-4,8,13-15,22H2,1H3,(H,24,25,26).
What are the key properties of N-(2-aminoacetyl)-4-hexoxy-3-phenylmethoxypyridine-2-carboxamide?
N-(2-aminoacetyl)-4-hexoxy-3-phenylmethoxypyridine-2-carboxamide has a molecular weight of 385.46 g/mol, XLogP of 2.83, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoacetyl)-4-hexoxy-3-phenylmethoxypyridine-2-carboxamide is sourced from PubChem (CID 15295477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).