N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide

C19H22F3N5O — CID 120605603

IUPACN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
SMILESCN1CCN(c2cc(C(=O)Nc3cc(CN)cc(C(F)(F)F)c3)ccn2)CC1
InChIInChI=1S/C19H22F3N5O/c1-26-4-6-27(7-5-26)17-10-14(2-3-24-17)18(28)25-16-9-13(12-23)8-15(11-16)19(20,21)22/h2-3,8-11H,4-7,12,23H2,1H3,(H,25,28)
InChIKeyNMEJRDLACGLWCE-UHFFFAOYSA-N
MW393.41 g/mol
LogP2.56
Rot. Bonds4

About N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide

N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide (PubChem CID 120605603) has the molecular formula C19H22F3N5O and a molecular weight of 393.41 g/mol. Its IUPAC name is N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
PubChem CID120605603
Molecular FormulaC19H22F3N5O
Molecular Weight393.41 g/mol
Exact Mass393.18
IUPAC NameN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
SMILESCN1CCN(c2cc(C(=O)Nc3cc(CN)cc(C(F)(F)F)c3)ccn2)CC1
InChIInChI=1S/C19H22F3N5O/c1-26-4-6-27(7-5-26)17-10-14(2-3-24-17)18(28)25-16-9-13(12-23)8-15(11-16)19(20,21)22/h2-3,8-11H,4-7,12,23H2,1H3,(H,25,28)
InChIKeyNMEJRDLACGLWCE-UHFFFAOYSA-N
XLogP2.56
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 109168617
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 120604735
3-(aminomethyl)-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-propan-2-ylbenzamide
CID 167436048
N-(1-amino-2-methylpropan-2-yl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 119524654
N-(6-amino-3-pyridinyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;dihydrochloride
CID 119516349
2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 6484238
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-tert-butylpyrazole-4-carboxamide
CID 120604907
N-[6-[acetyl(ethyl)amino]-3-pyridinyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 136554028
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 109172440
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 46979864
N-(4-hydroxy-2-methylphenyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 84573364
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(4-ethylpiperazin-1-yl)propanamide
CID 120605625

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide (CID 120605603) is N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide is CN1CCN(c2cc(C(=O)Nc3cc(CN)cc(C(F)(F)F)c3)ccn2)CC1.
What is the InChIKey of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide?
The InChIKey is NMEJRDLACGLWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N5O/c1-26-4-6-27(7-5-26)17-10-14(2-3-24-17)18(28)25-16-9-13(12-23)8-15(11-16)19(20,21)22/h2-3,8-11H,4-7,12,23H2,1H3,(H,25,28).
What are the key properties of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide?
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide has a molecular weight of 393.41 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 120605603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).