N-[(1-pyridin-4-yltriazol-4-yl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide

C18H17N5O2 — CID 121196035

IUPACN-[(1-pyridin-4-yltriazol-4-yl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide
SMILESO=C(NCc1cn(-c2ccncc2)nn1)C1CCc2ccccc2O1
InChIInChI=1S/C18H17N5O2/c24-18(17-6-5-13-3-1-2-4-16(13)25-17)20-11-14-12-23(22-21-14)15-7-9-19-10-8-15/h1-4,7-10,12,17H,5-6,11H2,(H,20,24)
InChIKeyIOQWIAKBZASNGD-UHFFFAOYSA-N
MW335.37 g/mol
LogP1.67
Rot. Bonds4

About N-[(1-pyridin-4-yltriazol-4-yl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide

N-[(1-pyridin-4-yltriazol-4-yl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 121196035) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is N-[(1-pyridin-4-yltriazol-4-yl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

Compound NameN-[(1-pyridin-4-yltriazol-4-yl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide
PubChem CID121196035
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC NameN-[(1-pyridin-4-yltriazol-4-yl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide
SMILESO=C(NCc1cn(-c2ccncc2)nn1)C1CCc2ccccc2O1
InChIInChI=1S/C18H17N5O2/c24-18(17-6-5-13-3-1-2-4-16(13)25-17)20-11-14-12-23(22-21-14)15-7-9-19-10-8-15/h1-4,7-10,12,17H,5-6,11H2,(H,20,24)
InChIKeyIOQWIAKBZASNGD-UHFFFAOYSA-N
XLogP1.67
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 90651021
2,2-diphenyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]acetamide
CID 121195878
N-(3-pyridin-2-ylpropyl)-3,4-dihydro-2H-chromene-2-carboxamide
CID 90649003
N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-3,4-dihydro-2H-chromene-2-carboxamide
CID 70704686
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(1-pyridin-4-yltriazol-4-yl)methyl]urea
CID 121196049
N-[(1-pyridin-4-yltriazol-4-yl)methyl]quinoline-2-carboxamide
CID 121195947
1-[(1-pyridin-4-yltriazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 119105072
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 119105261
N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 122246123
N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 91796163
N-[(1-pyridin-4-yltriazol-4-yl)methyl]quinoxaline-2-carboxamide
CID 121195802
4-tert-butyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide
CID 121195951

Frequently Asked Questions

What is the IUPAC name of N-[(1-pyridin-4-yltriazol-4-yl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The IUPAC name of N-[(1-pyridin-4-yltriazol-4-yl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide (CID 121196035) is N-[(1-pyridin-4-yltriazol-4-yl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide.
What is the SMILES notation for N-[(1-pyridin-4-yltriazol-4-yl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The canonical SMILES for N-[(1-pyridin-4-yltriazol-4-yl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide is O=C(NCc1cn(-c2ccncc2)nn1)C1CCc2ccccc2O1.
What is the InChIKey of N-[(1-pyridin-4-yltriazol-4-yl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The InChIKey is IOQWIAKBZASNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c24-18(17-6-5-13-3-1-2-4-16(13)25-17)20-11-14-12-23(22-21-14)15-7-9-19-10-8-15/h1-4,7-10,12,17H,5-6,11H2,(H,20,24).
What are the key properties of N-[(1-pyridin-4-yltriazol-4-yl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide?
N-[(1-pyridin-4-yltriazol-4-yl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 335.37 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pyridin-4-yltriazol-4-yl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 121196035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).