2-(aminomethyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-4-carboxamide

C14H23N5O — CID 114325905

IUPAC2-(aminomethyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-4-carboxamide
SMILESCN1CCN(CCNC(=O)c2ccnc(CN)c2)CC1
InChIInChI=1S/C14H23N5O/c1-18-6-8-19(9-7-18)5-4-17-14(20)12-2-3-16-13(10-12)11-15/h2-3,10H,4-9,11,15H2,1H3,(H,17,20)
InChIKeyPGXPLPXNWHDHIQ-UHFFFAOYSA-N
MW277.37 g/mol
LogP-0.48
Rot. Bonds5

About 2-(aminomethyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-4-carboxamide

2-(aminomethyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-4-carboxamide (PubChem CID 114325905) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-4-carboxamide
PubChem CID114325905
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name2-(aminomethyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-4-carboxamide
SMILESCN1CCN(CCNC(=O)c2ccnc(CN)c2)CC1
InChIInChI=1S/C14H23N5O/c1-18-6-8-19(9-7-18)5-4-17-14(20)12-2-3-16-13(10-12)11-15/h2-3,10H,4-9,11,15H2,1H3,(H,17,20)
InChIKeyPGXPLPXNWHDHIQ-UHFFFAOYSA-N
XLogP-0.48
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]pyridine-4-carboxamide
CID 114326261
N-(2-aminoethyl)-2-(aminomethyl)pyridine-4-carboxamide
CID 114326296
2-(aminomethyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide
CID 114325900
3-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 54861059
2-(aminomethyl)-N-(2-methylsulfanylethyl)pyridine-4-carboxamide
CID 114326601
N-[2-(4-methylpiperazin-1-yl)ethyl]-2-[(2R)-2-methylpiperidin-1-yl]pyridine-4-carboxamide
CID 95281237
2-(aminomethyl)-N-(2-ethylsulfinylethyl)pyridine-4-carboxamide
CID 104844461
2-(2-aminoethyl)-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
CID 115116266
2-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]pyridine-4-carboxamide
CID 114326285
2-(aminomethyl)-N-pent-4-ynylpyridine-4-carboxamide
CID 104860710
4-(2-methylbutan-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 144530451
3,4-diamino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
CID 18999787

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-4-carboxamide (CID 114325905) is 2-(aminomethyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-4-carboxamide is CN1CCN(CCNC(=O)c2ccnc(CN)c2)CC1.
What is the InChIKey of 2-(aminomethyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is PGXPLPXNWHDHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-18-6-8-19(9-7-18)5-4-17-14(20)12-2-3-16-13(10-12)11-15/h2-3,10H,4-9,11,15H2,1H3,(H,17,20).
What are the key properties of 2-(aminomethyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-4-carboxamide?
2-(aminomethyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 277.37 g/mol, XLogP of -0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 114325905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).