6-[[5-carbamoyl-4-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]-2-pyridinyl]methyl]pyridine-3-carboxylic acid

C20H16F3N5O3 — CID 58439743

IUPAC6-[[5-carbamoyl-4-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]-2-pyridinyl]methyl]pyridine-3-carboxylic acid
SMILESNC(=O)c1cnc(Cc2ccc(C(=O)O)cn2)cc1NCc1cnccc1C(F)(F)F
InChIInChI=1S/C20H16F3N5O3/c21-20(22,23)16-3-4-25-7-12(16)9-28-17-6-14(27-10-15(17)18(24)29)5-13-2-1-11(8-26-13)19(30)31/h1-4,6-8,10H,5,9H2,(H2,24,29)(H,27,28)(H,30,31)
InChIKeyUAHNYFWOEDYAKD-UHFFFAOYSA-N
MW431.37 g/mol
LogP2.89
Rot. Bonds7

About 6-[[5-carbamoyl-4-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]-2-pyridinyl]methyl]pyridine-3-carboxylic acid

6-[[5-carbamoyl-4-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]-2-pyridinyl]methyl]pyridine-3-carboxylic acid (PubChem CID 58439743) has the molecular formula C20H16F3N5O3 and a molecular weight of 431.37 g/mol. Its IUPAC name is 6-[[5-carbamoyl-4-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]-2-pyridinyl]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[5-carbamoyl-4-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]-2-pyridinyl]methyl]pyridine-3-carboxylic acid
PubChem CID58439743
Molecular FormulaC20H16F3N5O3
Molecular Weight431.37 g/mol
Exact Mass431.12
IUPAC Name6-[[5-carbamoyl-4-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]-2-pyridinyl]methyl]pyridine-3-carboxylic acid
SMILESNC(=O)c1cnc(Cc2ccc(C(=O)O)cn2)cc1NCc1cnccc1C(F)(F)F
InChIInChI=1S/C20H16F3N5O3/c21-20(22,23)16-3-4-25-7-12(16)9-28-17-6-14(27-10-15(17)18(24)29)5-13-2-1-11(8-26-13)19(30)31/h1-4,6-8,10H,5,9H2,(H2,24,29)(H,27,28)(H,30,31)
InChIKeyUAHNYFWOEDYAKD-UHFFFAOYSA-N
XLogP2.89
TPSA131.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.37
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-[[5-carbamoyl-4-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]-2-pyridinyl]methyl]pyridine-3-carboxylic acid with MolForge

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Related Compounds

2-{3-[4-(Pyridin-2-yl)phenyl]propanamido}benzoic acid
CID 11566404
4'-[(2-Aminoethyl)carbamoyl]-2,2'-Bipyridine-4-Carboxylic Acid
CID 45377880
4'-[(2-Phenylethyl)carbamoyl][2,2'-Bipyridine]-4-Carboxylic Acid
CID 45378188
4-[3-[5-oxo-4-(quinolin-5-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzoic acid
CID 53494803
2-[[2-(Trifluoromethyl)-4-pyridinyl]amino]benzoic acid
CID 1484876
(2,2'-Bipyridine)-5-carboxylic acid
CID 192752
AMPD2 Inhibitor
CID 91970656
(S)-6-(((4-(Trifluoromethyl)phenyl)(3-(trifluoromethyl)-pyridin-2-yl)methyl)carbamoyl)nicotinic Acid
CID 86687975
2-[2-[(1S,2S)-2-[[1-[4-(trifluoromethyl)phenyl]piperidine-4-carbonyl]amino]cyclopentyl]ethyl]pyridine-3-carboxylic acid
CID 132055344
Floctafenic acid
CID 37541
4-aminoquinoline-3-carboxylic Acid
CID 11651286
6-[4-[[[(1R)-1-isoquinolin-8-ylethyl]amino]methyl]phenyl]pyridine-3-carboxylic acid
CID 91970655

Frequently Asked Questions

What is the IUPAC name of 6-[[5-carbamoyl-4-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]-2-pyridinyl]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[5-carbamoyl-4-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]-2-pyridinyl]methyl]pyridine-3-carboxylic acid (CID 58439743) is 6-[[5-carbamoyl-4-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]-2-pyridinyl]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[5-carbamoyl-4-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]-2-pyridinyl]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[5-carbamoyl-4-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]-2-pyridinyl]methyl]pyridine-3-carboxylic acid is NC(=O)c1cnc(Cc2ccc(C(=O)O)cn2)cc1NCc1cnccc1C(F)(F)F.
What is the InChIKey of 6-[[5-carbamoyl-4-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]-2-pyridinyl]methyl]pyridine-3-carboxylic acid?
The InChIKey is UAHNYFWOEDYAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O3/c21-20(22,23)16-3-4-25-7-12(16)9-28-17-6-14(27-10-15(17)18(24)29)5-13-2-1-11(8-26-13)19(30)31/h1-4,6-8,10H,5,9H2,(H2,24,29)(H,27,28)(H,30,31).
What are the key properties of 6-[[5-carbamoyl-4-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]-2-pyridinyl]methyl]pyridine-3-carboxylic acid?
6-[[5-carbamoyl-4-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]-2-pyridinyl]methyl]pyridine-3-carboxylic acid has a molecular weight of 431.37 g/mol, XLogP of 2.89, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-carbamoyl-4-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]-2-pyridinyl]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 58439743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).