2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide

C18H23N5O — CID 119947480

IUPAC2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide
SMILESCN1CCN(c2cc(CNC(=O)c3ccccc3N)ccn2)CC1
InChIInChI=1S/C18H23N5O/c1-22-8-10-23(11-9-22)17-12-14(6-7-20-17)13-21-18(24)15-4-2-3-5-16(15)19/h2-7,12H,8-11,13,19H2,1H3,(H,21,24)
InChIKeyBUQLWLVDFTWRSZ-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.35
Rot. Bonds4

About 2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide

2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide (PubChem CID 119947480) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide
PubChem CID119947480
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide
SMILESCN1CCN(c2cc(CNC(=O)c3ccccc3N)ccn2)CC1
InChIInChI=1S/C18H23N5O/c1-22-8-10-23(11-9-22)17-12-14(6-7-20-17)13-21-18(24)15-4-2-3-5-16(15)19/h2-7,12H,8-11,13,19H2,1H3,(H,21,24)
InChIKeyBUQLWLVDFTWRSZ-UHFFFAOYSA-N
XLogP1.35
TPSA74.49 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 ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 119946403
2-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzamide;dihydrochloride
CID 119946399
2-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide;dihydrochloride
CID 119946489
(2R)-2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide
CID 119901488
4-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboxamide
CID 155944201
3-chloro-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyridine-2-carboxamide
CID 122134483
2,4-dichloro-5-fluoro-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide
CID 55742565
1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 119901458
2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-phenylpropanamide
CID 120597553
1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide;trihydrochloride
CID 119901457
1-(furan-2-ylmethyl)-1-methyl-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]urea
CID 51084308
1-(3-chlorophenyl)-5-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyrazole-4-carboxamide
CID 55912385

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide?
The IUPAC name of 2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide (CID 119947480) is 2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide.
What is the SMILES notation for 2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide?
The canonical SMILES for 2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide is CN1CCN(c2cc(CNC(=O)c3ccccc3N)ccn2)CC1.
What is the InChIKey of 2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide?
The InChIKey is BUQLWLVDFTWRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-22-8-10-23(11-9-22)17-12-14(6-7-20-17)13-21-18(24)15-4-2-3-5-16(15)19/h2-7,12H,8-11,13,19H2,1H3,(H,21,24).
What are the key properties of 2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide?
2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide has a molecular weight of 325.42 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide is sourced from PubChem (CID 119947480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).