N-methyl-4-(5-methyl-1-pyridin-3-yltriazol-4-yl)-N-propan-2-ylbenzamide

C19H21N5O — CID 45484905

IUPACN-methyl-4-(5-methyl-1-pyridin-3-yltriazol-4-yl)-N-propan-2-ylbenzamide
SMILESCc1c(-c2ccc(C(=O)N(C)C(C)C)cc2)nnn1-c1cccnc1
InChIInChI=1S/C19H21N5O/c1-13(2)23(4)19(25)16-9-7-15(8-10-16)18-14(3)24(22-21-18)17-6-5-11-20-12-17/h5-13H,1-4H3
InChIKeyXIVCAVADNLDPSM-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.12
Rot. Bonds4

About N-methyl-4-(5-methyl-1-pyridin-3-yltriazol-4-yl)-N-propan-2-ylbenzamide

N-methyl-4-(5-methyl-1-pyridin-3-yltriazol-4-yl)-N-propan-2-ylbenzamide (PubChem CID 45484905) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is N-methyl-4-(5-methyl-1-pyridin-3-yltriazol-4-yl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-methyl-4-(5-methyl-1-pyridin-3-yltriazol-4-yl)-N-propan-2-ylbenzamide
PubChem CID45484905
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC NameN-methyl-4-(5-methyl-1-pyridin-3-yltriazol-4-yl)-N-propan-2-ylbenzamide
SMILESCc1c(-c2ccc(C(=O)N(C)C(C)C)cc2)nnn1-c1cccnc1
InChIInChI=1S/C19H21N5O/c1-13(2)23(4)19(25)16-9-7-15(8-10-16)18-14(3)24(22-21-18)17-6-5-11-20-12-17/h5-13H,1-4H3
InChIKeyXIVCAVADNLDPSM-UHFFFAOYSA-N
XLogP3.12
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(5-methyl-1-pyridin-3-yltriazol-4-yl)-N-propan-2-ylbenzamide?
The IUPAC name of N-methyl-4-(5-methyl-1-pyridin-3-yltriazol-4-yl)-N-propan-2-ylbenzamide (CID 45484905) is N-methyl-4-(5-methyl-1-pyridin-3-yltriazol-4-yl)-N-propan-2-ylbenzamide.
What is the SMILES notation for N-methyl-4-(5-methyl-1-pyridin-3-yltriazol-4-yl)-N-propan-2-ylbenzamide?
The canonical SMILES for N-methyl-4-(5-methyl-1-pyridin-3-yltriazol-4-yl)-N-propan-2-ylbenzamide is Cc1c(-c2ccc(C(=O)N(C)C(C)C)cc2)nnn1-c1cccnc1.
What is the InChIKey of N-methyl-4-(5-methyl-1-pyridin-3-yltriazol-4-yl)-N-propan-2-ylbenzamide?
The InChIKey is XIVCAVADNLDPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-13(2)23(4)19(25)16-9-7-15(8-10-16)18-14(3)24(22-21-18)17-6-5-11-20-12-17/h5-13H,1-4H3.
What are the key properties of N-methyl-4-(5-methyl-1-pyridin-3-yltriazol-4-yl)-N-propan-2-ylbenzamide?
N-methyl-4-(5-methyl-1-pyridin-3-yltriazol-4-yl)-N-propan-2-ylbenzamide has a molecular weight of 335.41 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(5-methyl-1-pyridin-3-yltriazol-4-yl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 45484905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).