N-(3-methoxyphenyl)-6-(propan-2-ylamino)-5-(trifluoromethyl)pyridine-3-carboxamide

C17H18F3N3O2 — CID 25176572

IUPACN-(3-methoxyphenyl)-6-(propan-2-ylamino)-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cnc(NC(C)C)c(C(F)(F)F)c2)c1
InChIInChI=1S/C17H18F3N3O2/c1-10(2)22-15-14(17(18,19)20)7-11(9-21-15)16(24)23-12-5-4-6-13(8-12)25-3/h4-10H,1-3H3,(H,21,22)(H,23,24)
InChIKeyVMNZPOUGMKUBLS-UHFFFAOYSA-N
MW353.34 g/mol
LogP4.18
Rot. Bonds5

About N-(3-methoxyphenyl)-6-(propan-2-ylamino)-5-(trifluoromethyl)pyridine-3-carboxamide

N-(3-methoxyphenyl)-6-(propan-2-ylamino)-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 25176572) has the molecular formula C17H18F3N3O2 and a molecular weight of 353.34 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-6-(propan-2-ylamino)-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-6-(propan-2-ylamino)-5-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID25176572
Molecular FormulaC17H18F3N3O2
Molecular Weight353.34 g/mol
Exact Mass353.14
IUPAC NameN-(3-methoxyphenyl)-6-(propan-2-ylamino)-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cnc(NC(C)C)c(C(F)(F)F)c2)c1
InChIInChI=1S/C17H18F3N3O2/c1-10(2)22-15-14(17(18,19)20)7-11(9-21-15)16(24)23-12-5-4-6-13(8-12)25-3/h4-10H,1-3H3,(H,21,22)(H,23,24)
InChIKeyVMNZPOUGMKUBLS-UHFFFAOYSA-N
XLogP4.18
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,5-N-bis(3-methoxyphenyl)pyridine-2,5-dicarboxamide
CID 1368781
N-(3-methoxyphenyl)-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 42803007
2-(4-fluoroanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide
CID 109268538
5-N-(3-methoxyphenyl)pyridine-2,5-dicarboxamide
CID 47460212
N-(3-methoxyphenyl)-4-propan-2-ylbenzamide
CID 897049
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-methoxyphenyl)urea
CID 97455774
2-(4-acetylanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide
CID 109269511
methyl 3-[[5-[(3-methoxyphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109269515
5-(3-acetylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109245209
2-(3-bromoanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide
CID 109269522
1-(3-methoxyphenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]urea
CID 2814321
3-N-(3-methoxyphenyl)-5-N-(1-phenylethyl)pyridine-3,5-dicarboxamide
CID 109105396

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-6-(propan-2-ylamino)-5-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-6-(propan-2-ylamino)-5-(trifluoromethyl)pyridine-3-carboxamide (CID 25176572) is N-(3-methoxyphenyl)-6-(propan-2-ylamino)-5-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-6-(propan-2-ylamino)-5-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-6-(propan-2-ylamino)-5-(trifluoromethyl)pyridine-3-carboxamide is COc1cccc(NC(=O)c2cnc(NC(C)C)c(C(F)(F)F)c2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-6-(propan-2-ylamino)-5-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is VMNZPOUGMKUBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2/c1-10(2)22-15-14(17(18,19)20)7-11(9-21-15)16(24)23-12-5-4-6-13(8-12)25-3/h4-10H,1-3H3,(H,21,22)(H,23,24).
What are the key properties of N-(3-methoxyphenyl)-6-(propan-2-ylamino)-5-(trifluoromethyl)pyridine-3-carboxamide?
N-(3-methoxyphenyl)-6-(propan-2-ylamino)-5-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 353.34 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-6-(propan-2-ylamino)-5-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 25176572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).