N-(cyclopropylmethyl)-N-[[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methyl]thiophene-2-carboxamide;hydrochloride

C24H26ClF3N4OS — CID 24735526

IUPACN-(cyclopropylmethyl)-N-[[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methyl]thiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(c1cccs1)N(CC1CC1)CC1CCN(c2nccc3nc(C(F)(F)F)ccc23)CC1
InChIInChI=1S/C24H25F3N4OS.ClH/c25-24(26,27)21-6-5-18-19(29-21)7-10-28-22(18)30-11-8-17(9-12-30)15-31(14-16-3-4-16)23(32)20-2-1-13-33-20;/h1-2,5-7,10,13,16-17H,3-4,8-9,11-12,14-15H2;1H
InChIKeyPGMNRIIRRYZOET-UHFFFAOYSA-N
MW511.01 g/mol
LogP5.90
Rot. Bonds6

About N-(cyclopropylmethyl)-N-[[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methyl]thiophene-2-carboxamide;hydrochloride

N-(cyclopropylmethyl)-N-[[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methyl]thiophene-2-carboxamide;hydrochloride (PubChem CID 24735526) has the molecular formula C24H26ClF3N4OS and a molecular weight of 511.01 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methyl]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methyl]thiophene-2-carboxamide;hydrochloride
PubChem CID24735526
Molecular FormulaC24H26ClF3N4OS
Molecular Weight511.01 g/mol
Exact Mass510.15
IUPAC NameN-(cyclopropylmethyl)-N-[[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methyl]thiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(c1cccs1)N(CC1CC1)CC1CCN(c2nccc3nc(C(F)(F)F)ccc23)CC1
InChIInChI=1S/C24H25F3N4OS.ClH/c25-24(26,27)21-6-5-18-19(29-21)7-10-28-22(18)30-11-8-17(9-12-30)15-31(14-16-3-4-16)23(32)20-2-1-13-33-20;/h1-2,5-7,10,13,16-17H,3-4,8-9,11-12,14-15H2;1H
InChIKeyPGMNRIIRRYZOET-UHFFFAOYSA-N
XLogP5.90
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.01
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methanamine
CID 24735477
1-ethyl-3-[[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methyl]urea
CID 24735472
1-[cyclopropylmethyl-[[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methyl]amino]-3-phenoxypropan-2-ol;hydrochloride
CID 24735520
N-[(2-methoxyphenyl)methyl]-N-methyl-1-[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methanamine;hydrochloride
CID 24735422
5-piperazin-1-yl-2-(trifluoromethyl)-1,6-naphthyridine
CID 11514685
5-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)-2-(trifluoromethyl)-1,6-naphthyridine
CID 24735017
N-[2-[4-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethyl]pyridine-3-carboxamide
CID 24735489
N,2,2-trimethyl-N-[[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]propanamide
CID 171702181
N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyrimidin-2-ylacetamide
CID 71238708
2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethylcarbamic acid
CID 67364339
(2-amino-2-oxoethyl)-[[1-(3-bromo-2-pyridinyl)piperidin-4-yl]methyl]carbamic acid
CID 67136190
2-(2-phenylethyl)-7-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 24735130

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methyl]thiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-(cyclopropylmethyl)-N-[[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methyl]thiophene-2-carboxamide;hydrochloride (CID 24735526) is N-(cyclopropylmethyl)-N-[[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methyl]thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methyl]thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-(cyclopropylmethyl)-N-[[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methyl]thiophene-2-carboxamide;hydrochloride is Cl.O=C(c1cccs1)N(CC1CC1)CC1CCN(c2nccc3nc(C(F)(F)F)ccc23)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methyl]thiophene-2-carboxamide;hydrochloride?
The InChIKey is PGMNRIIRRYZOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4OS.ClH/c25-24(26,27)21-6-5-18-19(29-21)7-10-28-22(18)30-11-8-17(9-12-30)15-31(14-16-3-4-16)23(32)20-2-1-13-33-20;/h1-2,5-7,10,13,16-17H,3-4,8-9,11-12,14-15H2;1H.
What are the key properties of N-(cyclopropylmethyl)-N-[[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methyl]thiophene-2-carboxamide;hydrochloride?
N-(cyclopropylmethyl)-N-[[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methyl]thiophene-2-carboxamide;hydrochloride has a molecular weight of 511.01 g/mol, XLogP of 5.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methyl]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 24735526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).