2-amino-5-[3-fluoro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide

C18H22FN5O — CID 146427017

IUPAC2-amino-5-[3-fluoro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide
SMILESCN1CCN(Cc2ccc(-c3cnc(N)c(C(N)=O)c3)cc2F)CC1
InChIInChI=1S/C18H22FN5O/c1-23-4-6-24(7-5-23)11-13-3-2-12(9-16(13)19)14-8-15(18(21)25)17(20)22-10-14/h2-3,8-10H,4-7,11H2,1H3,(H2,20,22)(H2,21,25)
InChIKeyWOSUZOZPKVMDFE-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.32
Rot. Bonds4

About 2-amino-5-[3-fluoro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide

2-amino-5-[3-fluoro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide (PubChem CID 146427017) has the molecular formula C18H22FN5O and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-amino-5-[3-fluoro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-[3-fluoro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide
PubChem CID146427017
Molecular FormulaC18H22FN5O
Molecular Weight343.41 g/mol
Exact Mass343.18
IUPAC Name2-amino-5-[3-fluoro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide
SMILESCN1CCN(Cc2ccc(-c3cnc(N)c(C(N)=O)c3)cc2F)CC1
InChIInChI=1S/C18H22FN5O/c1-23-4-6-24(7-5-23)11-13-3-2-12(9-16(13)19)14-8-15(18(21)25)17(20)22-10-14/h2-3,8-10H,4-7,11H2,1H3,(H2,20,22)(H2,21,25)
InChIKeyWOSUZOZPKVMDFE-UHFFFAOYSA-N
XLogP1.32
TPSA88.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide
CID 126675392
2-amino-5-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]pyridine-3-carboxamide
CID 126675400
2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;1-methyl-4-[[4-[4-(pyrrolidin-3-yloxymethyl)phenyl]-2-(trifluoromethyl)phenyl]methyl]piperazine
CID 145269334
1-[(2,4-difluorophenyl)methyl]-4-methylpiperazine
CID 763846
[3-fluoro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]urea
CID 175914065
2-amino-5-[4-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]pyridine-3-carboxamide
CID 146427026
3-[2-[4-[2-amino-5-[3-fluoro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]phenyl]acetyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridin-4-one;methanesulfonic acid
CID 159732855
2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-3-carboxamide;1-[[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]-4-methylpiperazine
CID 145269236
2-[3-fluoro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[2-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]ethynyl]-4-methylbenzamide
CID 175044839
(E)-3-[6-amino-5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]prop-2-enoic acid
CID 66967159
5-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]-2H-triazole-4-carboxamide
CID 169402586
ethane;1-[(2-fluoro-4-methylphenyl)methyl]-4-methylpiperazine
CID 145145193

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-fluoro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-[3-fluoro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide (CID 146427017) is 2-amino-5-[3-fluoro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-[3-fluoro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-[3-fluoro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide is CN1CCN(Cc2ccc(-c3cnc(N)c(C(N)=O)c3)cc2F)CC1.
What is the InChIKey of 2-amino-5-[3-fluoro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is WOSUZOZPKVMDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O/c1-23-4-6-24(7-5-23)11-13-3-2-12(9-16(13)19)14-8-15(18(21)25)17(20)22-10-14/h2-3,8-10H,4-7,11H2,1H3,(H2,20,22)(H2,21,25).
What are the key properties of 2-amino-5-[3-fluoro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide?
2-amino-5-[3-fluoro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-fluoro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 146427017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).