1-[[2-(ethylamino)-3-pyridinyl]methyl]piperidine-4-carboxamide

C14H22N4O — CID 55075402

IUPAC1-[[2-(ethylamino)-3-pyridinyl]methyl]piperidine-4-carboxamide
SMILESCCNc1ncccc1CN1CCC(C(N)=O)CC1
InChIInChI=1S/C14H22N4O/c1-2-16-14-12(4-3-7-17-14)10-18-8-5-11(6-9-18)13(15)19/h3-4,7,11H,2,5-6,8-10H2,1H3,(H2,15,19)(H,16,17)
InChIKeyLEPKHHDZSGBSEQ-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.21
Rot. Bonds5

About 1-[[2-(ethylamino)-3-pyridinyl]methyl]piperidine-4-carboxamide

1-[[2-(ethylamino)-3-pyridinyl]methyl]piperidine-4-carboxamide (PubChem CID 55075402) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-[[2-(ethylamino)-3-pyridinyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[2-(ethylamino)-3-pyridinyl]methyl]piperidine-4-carboxamide
PubChem CID55075402
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name1-[[2-(ethylamino)-3-pyridinyl]methyl]piperidine-4-carboxamide
SMILESCCNc1ncccc1CN1CCC(C(N)=O)CC1
InChIInChI=1S/C14H22N4O/c1-2-16-14-12(4-3-7-17-14)10-18-8-5-11(6-9-18)13(15)19/h3-4,7,11H,2,5-6,8-10H2,1H3,(H2,15,19)(H,16,17)
InChIKeyLEPKHHDZSGBSEQ-UHFFFAOYSA-N
XLogP1.21
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(ethylamino)-3-pyridinyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[2-(ethylamino)-3-pyridinyl]methyl]piperidine-4-carboxamide (CID 55075402) is 1-[[2-(ethylamino)-3-pyridinyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[2-(ethylamino)-3-pyridinyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[2-(ethylamino)-3-pyridinyl]methyl]piperidine-4-carboxamide is CCNc1ncccc1CN1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[[2-(ethylamino)-3-pyridinyl]methyl]piperidine-4-carboxamide?
The InChIKey is LEPKHHDZSGBSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-2-16-14-12(4-3-7-17-14)10-18-8-5-11(6-9-18)13(15)19/h3-4,7,11H,2,5-6,8-10H2,1H3,(H2,15,19)(H,16,17).
What are the key properties of 1-[[2-(ethylamino)-3-pyridinyl]methyl]piperidine-4-carboxamide?
1-[[2-(ethylamino)-3-pyridinyl]methyl]piperidine-4-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(ethylamino)-3-pyridinyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 55075402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).