1-cyclohexyl-3-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]urea

C20H27N5O — CID 113013548

IUPAC1-cyclohexyl-3-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]urea
SMILESCN(CCc1ccncc1)c1ccc(NC(=O)NC2CCCCC2)cn1
InChIInChI=1S/C20H27N5O/c1-25(14-11-16-9-12-21-13-10-16)19-8-7-18(15-22-19)24-20(26)23-17-5-3-2-4-6-17/h7-10,12-13,15,17H,2-6,11,14H2,1H3,(H2,23,24,26)
InChIKeyNLVXDSQOMWKFAJ-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.61
Rot. Bonds6

About 1-cyclohexyl-3-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]urea

1-cyclohexyl-3-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]urea (PubChem CID 113013548) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 1-cyclohexyl-3-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]urea
PubChem CID113013548
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name1-cyclohexyl-3-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]urea
SMILESCN(CCc1ccncc1)c1ccc(NC(=O)NC2CCCCC2)cn1
InChIInChI=1S/C20H27N5O/c1-25(14-11-16-9-12-21-13-10-16)19-8-7-18(15-22-19)24-20(26)23-17-5-3-2-4-6-17/h7-10,12-13,15,17H,2-6,11,14H2,1H3,(H2,23,24,26)
InChIKeyNLVXDSQOMWKFAJ-UHFFFAOYSA-N
XLogP3.61
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-cyclohexyl-3-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]urea with MolForge

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Related Compounds

N-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]pyridine-3-carboxamide
CID 113013535
2,6-dimethoxy-N-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]benzamide
CID 113013518
N-cycloheptyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109237072
N-cyclohexyl-2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109363969
N-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113013536
N-cyclohexyl-2-[methyl(2-pyridin-4-ylethyl)amino]acetamide
CID 108993655
3-fluoro-N-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]benzamide
CID 113013512
N-cycloheptyl-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108948907
N-cyclopentyl-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 109013454
N-[4-(dimethylamino)phenyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109159164
N-cycloheptyl-4-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
CID 109214735
1-cyclohexyl-3-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]urea
CID 113013709

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]urea?
The IUPAC name of 1-cyclohexyl-3-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]urea (CID 113013548) is 1-cyclohexyl-3-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]urea is CN(CCc1ccncc1)c1ccc(NC(=O)NC2CCCCC2)cn1.
What is the InChIKey of 1-cyclohexyl-3-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]urea?
The InChIKey is NLVXDSQOMWKFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-25(14-11-16-9-12-21-13-10-16)19-8-7-18(15-22-19)24-20(26)23-17-5-3-2-4-6-17/h7-10,12-13,15,17H,2-6,11,14H2,1H3,(H2,23,24,26).
What are the key properties of 1-cyclohexyl-3-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]urea?
1-cyclohexyl-3-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]urea has a molecular weight of 353.47 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]urea is sourced from PubChem (CID 113013548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).