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

C18H23N5O — CID 126675392

IUPAC2-amino-5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide
SMILESCN1CCN(Cc2cccc(-c3cnc(N)c(C(N)=O)c3)c2)CC1
InChIInChI=1S/C18H23N5O/c1-22-5-7-23(8-6-22)12-13-3-2-4-14(9-13)15-10-16(18(20)24)17(19)21-11-15/h2-4,9-11H,5-8,12H2,1H3,(H2,19,21)(H2,20,24)
InChIKeyKGUKQHCSBJVZGC-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.18
Rot. Bonds4

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

2-amino-5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide (PubChem CID 126675392) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 2-amino-5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide
PubChem CID126675392
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name2-amino-5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide
SMILESCN1CCN(Cc2cccc(-c3cnc(N)c(C(N)=O)c3)c2)CC1
InChIInChI=1S/C18H23N5O/c1-22-5-7-23(8-6-22)12-13-3-2-4-14(9-13)15-10-16(18(20)24)17(19)21-11-15/h2-4,9-11H,5-8,12H2,1H3,(H2,19,21)(H2,20,24)
InChIKeyKGUKQHCSBJVZGC-UHFFFAOYSA-N
XLogP1.18
TPSA88.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-5-[3-fluoro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide
CID 146427017
2-amino-5-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]pyridine-3-carboxamide
CID 126675400
2-amino-5-[3-(3-hydroxypropyl)phenyl]pyridine-3-carboxamide
CID 126676205
2-amino-5-[3-(aminomethyl)phenyl]pyridine-3-carboxylic acid
CID 82556129
1-methyl-4-[[3-(3-methylphenyl)phenyl]methyl]piperazine
CID 166864415
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
3-methyl-6-[4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]-1,2-dihydrobenzotriazole-4-carboxylic acid
CID 166652124
2-amino-5-[4-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]pyridine-3-carboxamide
CID 146427026
2-amino-5-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide;cyclopentyloxymethylbenzene
CID 145269161
2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanethioamide
CID 82135769
2-amino-N-methyl-N-[[3-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]phenyl]methyl]acetamide
CID 70572382
2-methyl-5-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]benzamide
CID 142718219

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide (CID 126675392) is 2-amino-5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide is CN1CCN(Cc2cccc(-c3cnc(N)c(C(N)=O)c3)c2)CC1.
What is the InChIKey of 2-amino-5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is KGUKQHCSBJVZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-22-5-7-23(8-6-22)12-13-3-2-4-14(9-13)15-10-16(18(20)24)17(19)21-11-15/h2-4,9-11H,5-8,12H2,1H3,(H2,19,21)(H2,20,24).
What are the key properties of 2-amino-5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide?
2-amino-5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 1.18, 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-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 126675392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).