N-[(6-amino-3-pyridinyl)methyl]-5-chloro-2-(trifluoromethyl)pyridine-4-carboxamide

C13H10ClF3N4O — CID 166319426

IUPACN-[(6-amino-3-pyridinyl)methyl]-5-chloro-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESNc1ccc(CNC(=O)c2cc(C(F)(F)F)ncc2Cl)cn1
InChIInChI=1S/C13H10ClF3N4O/c14-9-6-19-10(13(15,16)17)3-8(9)12(22)21-5-7-1-2-11(18)20-4-7/h1-4,6H,5H2,(H2,18,20)(H,21,22)
InChIKeyFPDNDDPNPRIBDP-UHFFFAOYSA-N
MW330.70 g/mol
LogP2.66
Rot. Bonds3

About N-[(6-amino-3-pyridinyl)methyl]-5-chloro-2-(trifluoromethyl)pyridine-4-carboxamide

N-[(6-amino-3-pyridinyl)methyl]-5-chloro-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 166319426) has the molecular formula C13H10ClF3N4O and a molecular weight of 330.70 g/mol. Its IUPAC name is N-[(6-amino-3-pyridinyl)methyl]-5-chloro-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-3-pyridinyl)methyl]-5-chloro-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID166319426
Molecular FormulaC13H10ClF3N4O
Molecular Weight330.70 g/mol
Exact Mass330.05
IUPAC NameN-[(6-amino-3-pyridinyl)methyl]-5-chloro-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESNc1ccc(CNC(=O)c2cc(C(F)(F)F)ncc2Cl)cn1
InChIInChI=1S/C13H10ClF3N4O/c14-9-6-19-10(13(15,16)17)3-8(9)12(22)21-5-7-1-2-11(18)20-4-7/h1-4,6H,5H2,(H2,18,20)(H,21,22)
InChIKeyFPDNDDPNPRIBDP-UHFFFAOYSA-N
XLogP2.66
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.70
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-amino-3-pyridinyl)methyl]-3-chloro-5-(trifluoromethyl)pyridine-2-carboxamide
CID 166319423
2-amino-5-chloro-N-[(6-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 114923423
2-amino-5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-4-carboxamide
CID 114923313
2-amino-N-(1,3-benzodioxol-5-ylmethyl)-5-chloropyridine-4-carboxamide
CID 114923373
6-amino-5-[(2,6-dichlorophenyl)methoxy]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 58886296
2-amino-5-chloro-N-[2-(4-chlorophenyl)ethyl]pyridine-4-carboxamide
CID 114922684
2-amino-5-chloro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 114922128
4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-2-chlorobenzamide
CID 86819891
2-amino-5-chloro-N-methylpyridine-4-carboxamide
CID 114921748
4-(methylamino)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide
CID 71197021
N-[(6-amino-3-pyridinyl)methyl]-5-[2-(4-phenylphenyl)acetyl]-2-(trifluoromethoxy)benzamide
CID 158487212
2-amino-5-chloro-N-(2-methylpropyl)pyridine-4-carboxamide
CID 114921737

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-3-pyridinyl)methyl]-5-chloro-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-[(6-amino-3-pyridinyl)methyl]-5-chloro-2-(trifluoromethyl)pyridine-4-carboxamide (CID 166319426) is N-[(6-amino-3-pyridinyl)methyl]-5-chloro-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[(6-amino-3-pyridinyl)methyl]-5-chloro-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[(6-amino-3-pyridinyl)methyl]-5-chloro-2-(trifluoromethyl)pyridine-4-carboxamide is Nc1ccc(CNC(=O)c2cc(C(F)(F)F)ncc2Cl)cn1.
What is the InChIKey of N-[(6-amino-3-pyridinyl)methyl]-5-chloro-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is FPDNDDPNPRIBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N4O/c14-9-6-19-10(13(15,16)17)3-8(9)12(22)21-5-7-1-2-11(18)20-4-7/h1-4,6H,5H2,(H2,18,20)(H,21,22).
What are the key properties of N-[(6-amino-3-pyridinyl)methyl]-5-chloro-2-(trifluoromethyl)pyridine-4-carboxamide?
N-[(6-amino-3-pyridinyl)methyl]-5-chloro-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 330.70 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-3-pyridinyl)methyl]-5-chloro-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 166319426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).