4-chloro-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide

C15H23ClN4O — CID 81228576

IUPAC4-chloro-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide
SMILESCN1CCN(C(C)(C)CNC(=O)c2cnccc2Cl)CC1
InChIInChI=1S/C15H23ClN4O/c1-15(2,20-8-6-19(3)7-9-20)11-18-14(21)12-10-17-5-4-13(12)16/h4-5,10H,6-9,11H2,1-3H3,(H,18,21)
InChIKeyCLYMJWLLECJJNR-UHFFFAOYSA-N
MW310.83 g/mol
LogP1.49
Rot. Bonds4

About 4-chloro-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide

4-chloro-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide (PubChem CID 81228576) has the molecular formula C15H23ClN4O and a molecular weight of 310.83 g/mol. Its IUPAC name is 4-chloro-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide
PubChem CID81228576
Molecular FormulaC15H23ClN4O
Molecular Weight310.83 g/mol
Exact Mass310.16
IUPAC Name4-chloro-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide
SMILESCN1CCN(C(C)(C)CNC(=O)c2cnccc2Cl)CC1
InChIInChI=1S/C15H23ClN4O/c1-15(2,20-8-6-19(3)7-9-20)11-18-14(21)12-10-17-5-4-13(12)16/h4-5,10H,6-9,11H2,1-3H3,(H,18,21)
InChIKeyCLYMJWLLECJJNR-UHFFFAOYSA-N
XLogP1.49
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide
CID 81225983
4-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide
CID 103872767
3-bromo-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-2-carboxamide
CID 107518771
2-fluoro-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-4-carboxamide
CID 61294593
4-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 81226066
5-bromo-2-chloro-N-(2-methyl-2-pyrrolidin-1-ylpropyl)benzamide
CID 110413932
4-N-[4-[(2-chlorobenzoyl)amino]phenyl]-5-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-1H-imidazole-4,5-dicarboxamide
CID 118419265
4-chloro-N-(2-methylprop-2-enyl)pyridine-3-carboxamide
CID 114616643
4-chloro-N-(3-methylpentan-3-yl)pyridine-3-carboxamide
CID 103875358
N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-6-(2-methylpropoxy)pyridine-3-carboxamide
CID 47068402
4-chloro-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide
CID 103873581
4-chloro-N-(3-morpholin-4-yl-3-oxopropyl)pyridine-3-carboxamide
CID 115868328

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide (CID 81228576) is 4-chloro-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide is CN1CCN(C(C)(C)CNC(=O)c2cnccc2Cl)CC1.
What is the InChIKey of 4-chloro-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide?
The InChIKey is CLYMJWLLECJJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4O/c1-15(2,20-8-6-19(3)7-9-20)11-18-14(21)12-10-17-5-4-13(12)16/h4-5,10H,6-9,11H2,1-3H3,(H,18,21).
What are the key properties of 4-chloro-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide?
4-chloro-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide has a molecular weight of 310.83 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 81228576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).