N-[2-amino-6-[(4-fluorophenyl)methylamino]pyridin-1-ium-3-yl]benzamide chloride

C19H18ClFN4O — CID 136821796

IUPACN-[2-amino-6-[(4-fluorophenyl)methylamino]pyridin-1-ium-3-yl]benzamide chloride
SMILESNc1[nH+]c(NCc2ccc(F)cc2)ccc1NC(=O)c1ccccc1.[Cl-]
InChIInChI=1S/C19H17FN4O.ClH/c20-15-8-6-13(7-9-15)12-22-17-11-10-16(18(21)24-17)23-19(25)14-4-2-1-3-5-14;/h1-11H,12H2,(H,23,25)(H3,21,22,24);1H
InChIKeyBDBCCOVDRWVPFJ-UHFFFAOYSA-N
MW372.83 g/mol
LogP0.09
Rot. Bonds5

About N-[2-amino-6-[(4-fluorophenyl)methylamino]pyridin-1-ium-3-yl]benzamide chloride

N-[2-amino-6-[(4-fluorophenyl)methylamino]pyridin-1-ium-3-yl]benzamide chloride (PubChem CID 136821796) has the molecular formula C19H18ClFN4O and a molecular weight of 372.83 g/mol. Its IUPAC name is N-[2-amino-6-[(4-fluorophenyl)methylamino]pyridin-1-ium-3-yl]benzamide chloride.

Molecular Properties

Compound NameN-[2-amino-6-[(4-fluorophenyl)methylamino]pyridin-1-ium-3-yl]benzamide chloride
PubChem CID136821796
Molecular FormulaC19H18ClFN4O
Molecular Weight372.83 g/mol
Exact Mass372.12
IUPAC NameN-[2-amino-6-[(4-fluorophenyl)methylamino]pyridin-1-ium-3-yl]benzamide chloride
SMILESNc1[nH+]c(NCc2ccc(F)cc2)ccc1NC(=O)c1ccccc1.[Cl-]
InChIInChI=1S/C19H17FN4O.ClH/c20-15-8-6-13(7-9-15)12-22-17-11-10-16(18(21)24-17)23-19(25)14-4-2-1-3-5-14;/h1-11H,12H2,(H,23,25)(H3,21,22,24);1H
InChIKeyBDBCCOVDRWVPFJ-UHFFFAOYSA-N
XLogP0.09
TPSA81.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.83
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-amino-6-[(4-fluorophenyl)methylamino]pyridin-1-ium-3-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide chloride
CID 136821931
ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]pyridin-1-ium-3-yl]carbamate
CID 25271804
prop-2-enyl N-[2-amino-6-(benzylamino)pyridin-1-ium-3-yl]carbamate chloride
CID 136821880
(Z)-4-hydroxy-4-oxobut-2-enoate;propan-2-yl N-[2-amino-6-[(4-fluorophenyl)methylamino]pyridin-1-ium-3-yl]carbamate
CID 136821979
N-[2-amino-6-[(4-fluorophenyl)methylamino]pyridin-1-ium-3-yl]-4-(trifluoromethyl)benzenesulfonamide chloride
CID 136821865
N-benzyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 895615
4-fluoro-N-[4-[(4-fluorophenyl)methylamino]phenyl]benzamide
CID 112982456
ethyl N-[2-amino-6-[[4-(2,4,6-trimethylphenyl)phenyl]methylamino]pyridin-1-ium-3-yl]carbamate chloride
CID 136821544
N-(3-amino-4-pyridinyl)-4-[[(4-fluorophenyl)methylcarbamoylamino]methyl]benzamide
CID 44594972
[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]urea
CID 67981379
N-benzyl-2-[(4-fluorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109255220
N-[2-methyl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]benzamide
CID 175986266

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-6-[(4-fluorophenyl)methylamino]pyridin-1-ium-3-yl]benzamide chloride?
The IUPAC name of N-[2-amino-6-[(4-fluorophenyl)methylamino]pyridin-1-ium-3-yl]benzamide chloride (CID 136821796) is N-[2-amino-6-[(4-fluorophenyl)methylamino]pyridin-1-ium-3-yl]benzamide chloride.
What is the SMILES notation for N-[2-amino-6-[(4-fluorophenyl)methylamino]pyridin-1-ium-3-yl]benzamide chloride?
The canonical SMILES for N-[2-amino-6-[(4-fluorophenyl)methylamino]pyridin-1-ium-3-yl]benzamide chloride is Nc1[nH+]c(NCc2ccc(F)cc2)ccc1NC(=O)c1ccccc1.[Cl-].
What is the InChIKey of N-[2-amino-6-[(4-fluorophenyl)methylamino]pyridin-1-ium-3-yl]benzamide chloride?
The InChIKey is BDBCCOVDRWVPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O.ClH/c20-15-8-6-13(7-9-15)12-22-17-11-10-16(18(21)24-17)23-19(25)14-4-2-1-3-5-14;/h1-11H,12H2,(H,23,25)(H3,21,22,24);1H.
What are the key properties of N-[2-amino-6-[(4-fluorophenyl)methylamino]pyridin-1-ium-3-yl]benzamide chloride?
N-[2-amino-6-[(4-fluorophenyl)methylamino]pyridin-1-ium-3-yl]benzamide chloride has a molecular weight of 372.83 g/mol, XLogP of 0.09, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-6-[(4-fluorophenyl)methylamino]pyridin-1-ium-3-yl]benzamide chloride is sourced from PubChem (CID 136821796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).