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

C20H25N3O5 — CID 15295476

IUPACN-(2-aminoacetyl)-4-(3-ethoxypropoxy)-3-phenylmethoxypyridine-2-carboxamide
SMILESCCOCCCOc1ccnc(C(=O)NC(=O)CN)c1OCc1ccccc1
InChIInChI=1S/C20H25N3O5/c1-2-26-11-6-12-27-16-9-10-22-18(20(25)23-17(24)13-21)19(16)28-14-15-7-4-3-5-8-15/h3-5,7-10H,2,6,11-14,21H2,1H3,(H,23,24,25)
InChIKeyXDTPDNWMRHZPTM-UHFFFAOYSA-N
MW387.44 g/mol
LogP1.68
Rot. Bonds11

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

N-(2-aminoacetyl)-4-(3-ethoxypropoxy)-3-phenylmethoxypyridine-2-carboxamide (PubChem CID 15295476) has the molecular formula C20H25N3O5 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-(2-aminoacetyl)-4-(3-ethoxypropoxy)-3-phenylmethoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoacetyl)-4-(3-ethoxypropoxy)-3-phenylmethoxypyridine-2-carboxamide
PubChem CID15295476
Molecular FormulaC20H25N3O5
Molecular Weight387.44 g/mol
Exact Mass387.18
IUPAC NameN-(2-aminoacetyl)-4-(3-ethoxypropoxy)-3-phenylmethoxypyridine-2-carboxamide
SMILESCCOCCCOc1ccnc(C(=O)NC(=O)CN)c1OCc1ccccc1
InChIInChI=1S/C20H25N3O5/c1-2-26-11-6-12-27-16-9-10-22-18(20(25)23-17(24)13-21)19(16)28-14-15-7-4-3-5-8-15/h3-5,7-10H,2,6,11-14,21H2,1H3,(H,23,24,25)
InChIKeyXDTPDNWMRHZPTM-UHFFFAOYSA-N
XLogP1.68
TPSA112.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(3-ethoxypropoxy)-3-phenylmethoxypyridine-2-carboxamide?
The IUPAC name of N-(2-aminoacetyl)-4-(3-ethoxypropoxy)-3-phenylmethoxypyridine-2-carboxamide (CID 15295476) is N-(2-aminoacetyl)-4-(3-ethoxypropoxy)-3-phenylmethoxypyridine-2-carboxamide.
What is the SMILES notation for N-(2-aminoacetyl)-4-(3-ethoxypropoxy)-3-phenylmethoxypyridine-2-carboxamide?
The canonical SMILES for N-(2-aminoacetyl)-4-(3-ethoxypropoxy)-3-phenylmethoxypyridine-2-carboxamide is CCOCCCOc1ccnc(C(=O)NC(=O)CN)c1OCc1ccccc1.
What is the InChIKey of N-(2-aminoacetyl)-4-(3-ethoxypropoxy)-3-phenylmethoxypyridine-2-carboxamide?
The InChIKey is XDTPDNWMRHZPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5/c1-2-26-11-6-12-27-16-9-10-22-18(20(25)23-17(24)13-21)19(16)28-14-15-7-4-3-5-8-15/h3-5,7-10H,2,6,11-14,21H2,1H3,(H,23,24,25).
What are the key properties of N-(2-aminoacetyl)-4-(3-ethoxypropoxy)-3-phenylmethoxypyridine-2-carboxamide?
N-(2-aminoacetyl)-4-(3-ethoxypropoxy)-3-phenylmethoxypyridine-2-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 1.68, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoacetyl)-4-(3-ethoxypropoxy)-3-phenylmethoxypyridine-2-carboxamide is sourced from PubChem (CID 15295476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).