N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide

C20H20N4O2 — CID 18132513

IUPACN-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(NCc1ccc(Cn2cncn2)cc1)C1COc2ccccc2C1
InChIInChI=1S/C20H20N4O2/c25-20(18-9-17-3-1-2-4-19(17)26-12-18)22-10-15-5-7-16(8-6-15)11-24-14-21-13-23-24/h1-8,13-14,18H,9-12H2,(H,22,25)
InChIKeySBDPTLYZMJRPQA-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.19
Rot. Bonds5

About N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide

N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 18132513) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID18132513
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(NCc1ccc(Cn2cncn2)cc1)C1COc2ccccc2C1
InChIInChI=1S/C20H20N4O2/c25-20(18-9-17-3-1-2-4-19(17)26-12-18)22-10-15-5-7-16(8-6-15)11-24-14-21-13-23-24/h1-8,13-14,18H,9-12H2,(H,22,25)
InChIKeySBDPTLYZMJRPQA-UHFFFAOYSA-N
XLogP2.19
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[(1R)-1-[4-(cyclobutylmethoxy)phenyl]-2-(1,2,4-triazol-1-yl)ethyl]-2-phenylpropanamide
CID 168291461
N-benzyl-7-(2-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 667101
4-butoxy-N-[3-(1,2,4-triazol-1-yl)propyl]benzamide
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N-[(4-cyclohexyl-4H-1,2,4-triazol-3-yl)methyl]chromane-3-carboxamide
CID 72938563
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 94579965
N-(2-phenylethyl)-4-{[1-(1H-1,2,4-triazol-1-ylacetyl)-4-piperidinyl]oxy}benzamide
CID 25371813
7-[2-[(2-fluorophenyl)methoxy]phenyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 3268321
7-[2-[(4-fluorophenyl)methoxy]phenyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 3953888
7-[2-[(3-fluorophenyl)methoxy]phenyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 4225360
2-[(4-fluorophenyl)methoxy]-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 24687673
3-(4-fluorophenoxy)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide
CID 38755360
2-(difluoromethoxy)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 40108261

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 18132513) is N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide is O=C(NCc1ccc(Cn2cncn2)cc1)C1COc2ccccc2C1.
What is the InChIKey of N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is SBDPTLYZMJRPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-20(18-9-17-3-1-2-4-19(17)26-12-18)22-10-15-5-7-16(8-6-15)11-24-14-21-13-23-24/h1-8,13-14,18H,9-12H2,(H,22,25).
What are the key properties of N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 18132513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).