N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclohexanecarboxamide

C15H21N3O2 — CID 18107076

IUPACN-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclohexanecarboxamide
SMILESCc1cccnc1NC(=O)CNC(=O)C1CCCCC1
InChIInChI=1S/C15H21N3O2/c1-11-6-5-9-16-14(11)18-13(19)10-17-15(20)12-7-3-2-4-8-12/h5-6,9,12H,2-4,7-8,10H2,1H3,(H,17,20)(H,16,18,19)
InChIKeyHKCYSRAQOCSGQT-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.03
Rot. Bonds4

About N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclohexanecarboxamide

N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclohexanecarboxamide (PubChem CID 18107076) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclohexanecarboxamide
PubChem CID18107076
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclohexanecarboxamide
SMILESCc1cccnc1NC(=O)CNC(=O)C1CCCCC1
InChIInChI=1S/C15H21N3O2/c1-11-6-5-9-16-14(11)18-13(19)10-17-15(20)12-7-3-2-4-8-12/h5-6,9,12H,2-4,7-8,10H2,1H3,(H,17,20)(H,16,18,19)
InChIKeyHKCYSRAQOCSGQT-UHFFFAOYSA-N
XLogP2.03
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclohexanecarboxamide (CID 18107076) is N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclohexanecarboxamide is Cc1cccnc1NC(=O)CNC(=O)C1CCCCC1.
What is the InChIKey of N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclohexanecarboxamide?
The InChIKey is HKCYSRAQOCSGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11-6-5-9-16-14(11)18-13(19)10-17-15(20)12-7-3-2-4-8-12/h5-6,9,12H,2-4,7-8,10H2,1H3,(H,17,20)(H,16,18,19).
What are the key properties of N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclohexanecarboxamide?
N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclohexanecarboxamide has a molecular weight of 275.35 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclohexanecarboxamide is sourced from PubChem (CID 18107076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).