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

C19H31N5O — CID 95281237

IUPACN-[2-(4-methylpiperazin-1-yl)ethyl]-2-[(2R)-2-methylpiperidin-1-yl]pyridine-4-carboxamide
SMILESC[C@@H]1CCCCN1c1cc(C(=O)NCCN2CCN(C)CC2)ccn1
InChIInChI=1S/C19H31N5O/c1-16-5-3-4-9-24(16)18-15-17(6-7-20-18)19(25)21-8-10-23-13-11-22(2)12-14-23/h6-7,15-16H,3-5,8-14H2,1-2H3,(H,21,25)/t16-/m1/s1
InChIKeyXNKZTQYPWFTWLV-MRXNPFEDSA-N
MW345.49 g/mol
LogP1.44
Rot. Bonds5

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

N-[2-(4-methylpiperazin-1-yl)ethyl]-2-[(2R)-2-methylpiperidin-1-yl]pyridine-4-carboxamide (PubChem CID 95281237) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)ethyl]-2-[(2R)-2-methylpiperidin-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)ethyl]-2-[(2R)-2-methylpiperidin-1-yl]pyridine-4-carboxamide
PubChem CID95281237
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC NameN-[2-(4-methylpiperazin-1-yl)ethyl]-2-[(2R)-2-methylpiperidin-1-yl]pyridine-4-carboxamide
SMILESC[C@@H]1CCCCN1c1cc(C(=O)NCCN2CCN(C)CC2)ccn1
InChIInChI=1S/C19H31N5O/c1-16-5-3-4-9-24(16)18-15-17(6-7-20-18)19(25)21-8-10-23-13-11-22(2)12-14-23/h6-7,15-16H,3-5,8-14H2,1-2H3,(H,21,25)/t16-/m1/s1
InChIKeyXNKZTQYPWFTWLV-MRXNPFEDSA-N
XLogP1.44
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-methylpiperazin-1-yl)ethyl]-2-[(2R)-2-methylpiperidin-1-yl]pyridine-4-carboxamide with MolForge

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Related Compounds

2-[(2R)-2-methylpiperidin-1-yl]-N-[2-(pyrimidin-2-ylamino)ethyl]pyridine-4-carboxamide
CID 95313062
[2-(2-methylpiperidin-1-yl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 166191035
2-(aminomethyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-4-carboxamide
CID 114325905
N,N-dimethyl-2-[(2R)-2-methylpyrrolidin-1-yl]pyridine-4-carboxamide
CID 175589631
N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-[(2S)-2-methylpiperidin-1-yl]pyridine-4-carboxamide
CID 94811507
2-(aminomethyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]pyridine-4-carboxamide
CID 114326261
N-[(2-bromo-4-fluorophenyl)methoxy]-2-[(2S)-2-methylpiperidin-1-yl]pyridine-4-carboxamide
CID 99788894
2-(2-ethylpiperidin-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 109174906
N-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)pyridine-4-carboxamide
CID 117089399
4-[(2R)-2-methylpiperidin-1-yl]-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide
CID 95445040
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-4-carboxamide
CID 117080929
2-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-4-carboxamide
CID 115601906

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]-2-[(2R)-2-methylpiperidin-1-yl]pyridine-4-carboxamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]-2-[(2R)-2-methylpiperidin-1-yl]pyridine-4-carboxamide (CID 95281237) is N-[2-(4-methylpiperazin-1-yl)ethyl]-2-[(2R)-2-methylpiperidin-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)ethyl]-2-[(2R)-2-methylpiperidin-1-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)ethyl]-2-[(2R)-2-methylpiperidin-1-yl]pyridine-4-carboxamide is C[C@@H]1CCCCN1c1cc(C(=O)NCCN2CCN(C)CC2)ccn1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)ethyl]-2-[(2R)-2-methylpiperidin-1-yl]pyridine-4-carboxamide?
The InChIKey is XNKZTQYPWFTWLV-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H31N5O/c1-16-5-3-4-9-24(16)18-15-17(6-7-20-18)19(25)21-8-10-23-13-11-22(2)12-14-23/h6-7,15-16H,3-5,8-14H2,1-2H3,(H,21,25)/t16-/m1/s1.
What are the key properties of N-[2-(4-methylpiperazin-1-yl)ethyl]-2-[(2R)-2-methylpiperidin-1-yl]pyridine-4-carboxamide?
N-[2-(4-methylpiperazin-1-yl)ethyl]-2-[(2R)-2-methylpiperidin-1-yl]pyridine-4-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)ethyl]-2-[(2R)-2-methylpiperidin-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 95281237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).