2-[4-(1-aminoethyl)piperidin-1-yl]-6-methylpyridine-4-carboxamide

C14H22N4O — CID 114770036

IUPAC2-[4-(1-aminoethyl)piperidin-1-yl]-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(N)=O)cc(N2CCC(C(C)N)CC2)n1
InChIInChI=1S/C14H22N4O/c1-9-7-12(14(16)19)8-13(17-9)18-5-3-11(4-6-18)10(2)15/h7-8,10-11H,3-6,15H2,1-2H3,(H2,16,19)
InChIKeyRFZKHPIFLHOHIY-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.05
Rot. Bonds3

About 2-[4-(1-aminoethyl)piperidin-1-yl]-6-methylpyridine-4-carboxamide

2-[4-(1-aminoethyl)piperidin-1-yl]-6-methylpyridine-4-carboxamide (PubChem CID 114770036) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-[4-(1-aminoethyl)piperidin-1-yl]-6-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-[4-(1-aminoethyl)piperidin-1-yl]-6-methylpyridine-4-carboxamide
PubChem CID114770036
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-[4-(1-aminoethyl)piperidin-1-yl]-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(N)=O)cc(N2CCC(C(C)N)CC2)n1
InChIInChI=1S/C14H22N4O/c1-9-7-12(14(16)19)8-13(17-9)18-5-3-11(4-6-18)10(2)15/h7-8,10-11H,3-6,15H2,1-2H3,(H2,16,19)
InChIKeyRFZKHPIFLHOHIY-UHFFFAOYSA-N
XLogP1.05
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carboxylic acid
CID 113417713
2-methyl-6-(4-propan-2-ylazepan-1-yl)pyridine-4-carbothioamide
CID 114767724
2-methyl-6-(3-methylpiperidin-1-yl)pyridine-4-carboxamide
CID 90718373
4-[4-(1-aminoethyl)piperidin-1-yl]-3-methylbenzamide
CID 55215528
N'-hydroxy-2-(4-methoxypiperidin-1-yl)-6-methylpyridine-4-carboximidamide
CID 137013400
4-[4-(1-aminoethyl)piperidine-1-carbonyl]benzamide
CID 119520138
2-(4-carbamoyl-6-methyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102892397
2-(5-amino-1,3-dihydroisoindol-2-yl)-6-methylpyridine-4-carboxamide
CID 114770305
methyl 4-[4-(1-hydroxyethyl)piperidin-1-yl]-6-methylpyrimidine-2-carboxylate
CID 106837278
[1-(4-carbamoyl-6-chloro-2-pyridinyl)piperidin-4-yl]carbamic acid
CID 87504353
2-methyl-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-4-carboxylic acid
CID 114271864
1-(4-carbamoyl-6-methyl-2-pyridinyl)piperazine-2-carboxamide
CID 114770103

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminoethyl)piperidin-1-yl]-6-methylpyridine-4-carboxamide?
The IUPAC name of 2-[4-(1-aminoethyl)piperidin-1-yl]-6-methylpyridine-4-carboxamide (CID 114770036) is 2-[4-(1-aminoethyl)piperidin-1-yl]-6-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-[4-(1-aminoethyl)piperidin-1-yl]-6-methylpyridine-4-carboxamide?
The canonical SMILES for 2-[4-(1-aminoethyl)piperidin-1-yl]-6-methylpyridine-4-carboxamide is Cc1cc(C(N)=O)cc(N2CCC(C(C)N)CC2)n1.
What is the InChIKey of 2-[4-(1-aminoethyl)piperidin-1-yl]-6-methylpyridine-4-carboxamide?
The InChIKey is RFZKHPIFLHOHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-9-7-12(14(16)19)8-13(17-9)18-5-3-11(4-6-18)10(2)15/h7-8,10-11H,3-6,15H2,1-2H3,(H2,16,19).
What are the key properties of 2-[4-(1-aminoethyl)piperidin-1-yl]-6-methylpyridine-4-carboxamide?
2-[4-(1-aminoethyl)piperidin-1-yl]-6-methylpyridine-4-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminoethyl)piperidin-1-yl]-6-methylpyridine-4-carboxamide is sourced from PubChem (CID 114770036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).