N-[2-(2-methylindol-1-yl)ethyl]-4-pyrimidin-2-ylcyclohexane-1-carboxamide

C22H26N4O — CID 90680587

IUPACN-[2-(2-methylindol-1-yl)ethyl]-4-pyrimidin-2-ylcyclohexane-1-carboxamide
SMILESCc1cc2ccccc2n1CCNC(=O)C1CCC(c2ncccn2)CC1
InChIInChI=1S/C22H26N4O/c1-16-15-19-5-2-3-6-20(19)26(16)14-13-25-22(27)18-9-7-17(8-10-18)21-23-11-4-12-24-21/h2-6,11-12,15,17-18H,7-10,13-14H2,1H3,(H,25,27)
InChIKeyNCGCNYUZWYJULJ-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.83
Rot. Bonds5

About N-[2-(2-methylindol-1-yl)ethyl]-4-pyrimidin-2-ylcyclohexane-1-carboxamide

N-[2-(2-methylindol-1-yl)ethyl]-4-pyrimidin-2-ylcyclohexane-1-carboxamide (PubChem CID 90680587) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[2-(2-methylindol-1-yl)ethyl]-4-pyrimidin-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylindol-1-yl)ethyl]-4-pyrimidin-2-ylcyclohexane-1-carboxamide
PubChem CID90680587
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC NameN-[2-(2-methylindol-1-yl)ethyl]-4-pyrimidin-2-ylcyclohexane-1-carboxamide
SMILESCc1cc2ccccc2n1CCNC(=O)C1CCC(c2ncccn2)CC1
InChIInChI=1S/C22H26N4O/c1-16-15-19-5-2-3-6-20(19)26(16)14-13-25-22(27)18-9-7-17(8-10-18)21-23-11-4-12-24-21/h2-6,11-12,15,17-18H,7-10,13-14H2,1H3,(H,25,27)
InChIKeyNCGCNYUZWYJULJ-UHFFFAOYSA-N
XLogP3.83
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylindol-1-yl)ethyl]-4-pyrimidin-2-ylcyclohexane-1-carboxamide?
The IUPAC name of N-[2-(2-methylindol-1-yl)ethyl]-4-pyrimidin-2-ylcyclohexane-1-carboxamide (CID 90680587) is N-[2-(2-methylindol-1-yl)ethyl]-4-pyrimidin-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-(2-methylindol-1-yl)ethyl]-4-pyrimidin-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-[2-(2-methylindol-1-yl)ethyl]-4-pyrimidin-2-ylcyclohexane-1-carboxamide is Cc1cc2ccccc2n1CCNC(=O)C1CCC(c2ncccn2)CC1.
What is the InChIKey of N-[2-(2-methylindol-1-yl)ethyl]-4-pyrimidin-2-ylcyclohexane-1-carboxamide?
The InChIKey is NCGCNYUZWYJULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-16-15-19-5-2-3-6-20(19)26(16)14-13-25-22(27)18-9-7-17(8-10-18)21-23-11-4-12-24-21/h2-6,11-12,15,17-18H,7-10,13-14H2,1H3,(H,25,27).
What are the key properties of N-[2-(2-methylindol-1-yl)ethyl]-4-pyrimidin-2-ylcyclohexane-1-carboxamide?
N-[2-(2-methylindol-1-yl)ethyl]-4-pyrimidin-2-ylcyclohexane-1-carboxamide has a molecular weight of 362.48 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylindol-1-yl)ethyl]-4-pyrimidin-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 90680587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).