N-[3-methoxy-4-(3-methoxypropoxy)phenyl]-5-(triazol-1-yl)pyridine-3-carboxamide

C19H21N5O4 — CID 126800452

IUPACN-[3-methoxy-4-(3-methoxypropoxy)phenyl]-5-(triazol-1-yl)pyridine-3-carboxamide
SMILESCOCCCOc1ccc(NC(=O)c2cncc(-n3ccnn3)c2)cc1OC
InChIInChI=1S/C19H21N5O4/c1-26-8-3-9-28-17-5-4-15(11-18(17)27-2)22-19(25)14-10-16(13-20-12-14)24-7-6-21-23-24/h4-7,10-13H,3,8-9H2,1-2H3,(H,22,25)
InChIKeyKLFKXKBHDYDQTD-UHFFFAOYSA-N
MW383.41 g/mol
LogP2.34
Rot. Bonds9

About N-[3-methoxy-4-(3-methoxypropoxy)phenyl]-5-(triazol-1-yl)pyridine-3-carboxamide

N-[3-methoxy-4-(3-methoxypropoxy)phenyl]-5-(triazol-1-yl)pyridine-3-carboxamide (PubChem CID 126800452) has the molecular formula C19H21N5O4 and a molecular weight of 383.41 g/mol. Its IUPAC name is N-[3-methoxy-4-(3-methoxypropoxy)phenyl]-5-(triazol-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-methoxy-4-(3-methoxypropoxy)phenyl]-5-(triazol-1-yl)pyridine-3-carboxamide
PubChem CID126800452
Molecular FormulaC19H21N5O4
Molecular Weight383.41 g/mol
Exact Mass383.16
IUPAC NameN-[3-methoxy-4-(3-methoxypropoxy)phenyl]-5-(triazol-1-yl)pyridine-3-carboxamide
SMILESCOCCCOc1ccc(NC(=O)c2cncc(-n3ccnn3)c2)cc1OC
InChIInChI=1S/C19H21N5O4/c1-26-8-3-9-28-17-5-4-15(11-18(17)27-2)22-19(25)14-10-16(13-20-12-14)24-7-6-21-23-24/h4-7,10-13H,3,8-9H2,1-2H3,(H,22,25)
InChIKeyKLFKXKBHDYDQTD-UHFFFAOYSA-N
XLogP2.34
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethoxyphenyl)-5-piperidin-1-ylpyridine-3-carboxamide
CID 109226574
4-butoxy-3-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729178
N-(3,4-dimethoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235722
4-hexoxy-3-methoxy-N-pyridin-4-ylbenzamide
CID 60589873
3-methoxy-4-propoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 8004402
N-(3,4-dimethoxyphenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 109245677
1-[3-methoxy-4-(3-methoxypropoxy)phenyl]ethanone
CID 60778711
N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-(triazol-1-yl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 167916252
N-[4-(2-methoxyethoxy)-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide
CID 154635315
4-N-(3,4-dimethoxyphenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045361
1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019
N-(3,4-dimethoxyphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224281

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(3-methoxypropoxy)phenyl]-5-(triazol-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[3-methoxy-4-(3-methoxypropoxy)phenyl]-5-(triazol-1-yl)pyridine-3-carboxamide (CID 126800452) is N-[3-methoxy-4-(3-methoxypropoxy)phenyl]-5-(triazol-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-methoxy-4-(3-methoxypropoxy)phenyl]-5-(triazol-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[3-methoxy-4-(3-methoxypropoxy)phenyl]-5-(triazol-1-yl)pyridine-3-carboxamide is COCCCOc1ccc(NC(=O)c2cncc(-n3ccnn3)c2)cc1OC.
What is the InChIKey of N-[3-methoxy-4-(3-methoxypropoxy)phenyl]-5-(triazol-1-yl)pyridine-3-carboxamide?
The InChIKey is KLFKXKBHDYDQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4/c1-26-8-3-9-28-17-5-4-15(11-18(17)27-2)22-19(25)14-10-16(13-20-12-14)24-7-6-21-23-24/h4-7,10-13H,3,8-9H2,1-2H3,(H,22,25).
What are the key properties of N-[3-methoxy-4-(3-methoxypropoxy)phenyl]-5-(triazol-1-yl)pyridine-3-carboxamide?
N-[3-methoxy-4-(3-methoxypropoxy)phenyl]-5-(triazol-1-yl)pyridine-3-carboxamide has a molecular weight of 383.41 g/mol, XLogP of 2.34, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(3-methoxypropoxy)phenyl]-5-(triazol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 126800452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).