1-(3-methyl-2-pyridinyl)-3-[1-[(3-methyl-2-pyridinyl)carbamoylamino]pentan-3-yl]urea

C19H26N6O2 — CID 47076572

IUPAC1-(3-methyl-2-pyridinyl)-3-[1-[(3-methyl-2-pyridinyl)carbamoylamino]pentan-3-yl]urea
SMILESCCC(CCNC(=O)Nc1ncccc1C)NC(=O)Nc1ncccc1C
InChIInChI=1S/C19H26N6O2/c1-4-15(23-19(27)25-17-14(3)8-6-11-21-17)9-12-22-18(26)24-16-13(2)7-5-10-20-16/h5-8,10-11,15H,4,9,12H2,1-3H3,(H2,20,22,24,26)(H2,21,23,25,27)
InChIKeySZYBSUHMVRNPJF-UHFFFAOYSA-N
MW370.46 g/mol
LogP3.21
Rot. Bonds7

About 1-(3-methyl-2-pyridinyl)-3-[1-[(3-methyl-2-pyridinyl)carbamoylamino]pentan-3-yl]urea

1-(3-methyl-2-pyridinyl)-3-[1-[(3-methyl-2-pyridinyl)carbamoylamino]pentan-3-yl]urea (PubChem CID 47076572) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 1-(3-methyl-2-pyridinyl)-3-[1-[(3-methyl-2-pyridinyl)carbamoylamino]pentan-3-yl]urea.

Molecular Properties

Compound Name1-(3-methyl-2-pyridinyl)-3-[1-[(3-methyl-2-pyridinyl)carbamoylamino]pentan-3-yl]urea
PubChem CID47076572
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name1-(3-methyl-2-pyridinyl)-3-[1-[(3-methyl-2-pyridinyl)carbamoylamino]pentan-3-yl]urea
SMILESCCC(CCNC(=O)Nc1ncccc1C)NC(=O)Nc1ncccc1C
InChIInChI=1S/C19H26N6O2/c1-4-15(23-19(27)25-17-14(3)8-6-11-21-17)9-12-22-18(26)24-16-13(2)7-5-10-20-16/h5-8,10-11,15H,4,9,12H2,1-3H3,(H2,20,22,24,26)(H2,21,23,25,27)
InChIKeySZYBSUHMVRNPJF-UHFFFAOYSA-N
XLogP3.21
TPSA108.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 53.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-(3-methyl-2-pyridinyl)-3-[1-[(3-methyl-2-pyridinyl)carbamoylamino]pentan-3-yl]urea with MolForge

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Related Compounds

1-[(2-methylphenyl)methyl]-3-(3-methyl-2-pyridinyl)urea
CID 108897270
1-benzhydryl-3-(3-methyl-2-pyridinyl)urea
CID 108867567
1-methyl-3-(3-methyl-2-pyridinyl)urea
CID 17171367
1-(4-chlorophenyl)-3-[(3R)-1-[(4-chlorophenyl)carbamoylamino]pentan-3-yl]urea
CID 40625211
1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(3-methyl-2-pyridinyl)urea
CID 94054024
N'-(3-methyl-2-pyridinyl)-N-propyloxamide
CID 44997048
1-(4-methoxyphenyl)-3-[1-[(4-methoxyphenyl)carbamoylamino]pentan-3-yl]urea
CID 55629361
(2R)-2-amino-N-(3-methyl-2-pyridinyl)pentanamide
CID 107568105
1-(3-methyl-2-pyridinyl)-3-(thiophen-2-ylmethyl)urea
CID 47236047
1-(3-chloro-2-pyridinyl)-3-propylurea
CID 103886211
1-[(4-methoxyphenyl)methyl]-3-(3-methyl-2-pyridinyl)urea
CID 47235934
1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)urea
CID 108866068

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2-pyridinyl)-3-[1-[(3-methyl-2-pyridinyl)carbamoylamino]pentan-3-yl]urea?
The IUPAC name of 1-(3-methyl-2-pyridinyl)-3-[1-[(3-methyl-2-pyridinyl)carbamoylamino]pentan-3-yl]urea (CID 47076572) is 1-(3-methyl-2-pyridinyl)-3-[1-[(3-methyl-2-pyridinyl)carbamoylamino]pentan-3-yl]urea.
What is the SMILES notation for 1-(3-methyl-2-pyridinyl)-3-[1-[(3-methyl-2-pyridinyl)carbamoylamino]pentan-3-yl]urea?
The canonical SMILES for 1-(3-methyl-2-pyridinyl)-3-[1-[(3-methyl-2-pyridinyl)carbamoylamino]pentan-3-yl]urea is CCC(CCNC(=O)Nc1ncccc1C)NC(=O)Nc1ncccc1C.
What is the InChIKey of 1-(3-methyl-2-pyridinyl)-3-[1-[(3-methyl-2-pyridinyl)carbamoylamino]pentan-3-yl]urea?
The InChIKey is SZYBSUHMVRNPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-4-15(23-19(27)25-17-14(3)8-6-11-21-17)9-12-22-18(26)24-16-13(2)7-5-10-20-16/h5-8,10-11,15H,4,9,12H2,1-3H3,(H2,20,22,24,26)(H2,21,23,25,27).
What are the key properties of 1-(3-methyl-2-pyridinyl)-3-[1-[(3-methyl-2-pyridinyl)carbamoylamino]pentan-3-yl]urea?
1-(3-methyl-2-pyridinyl)-3-[1-[(3-methyl-2-pyridinyl)carbamoylamino]pentan-3-yl]urea has a molecular weight of 370.46 g/mol, XLogP of 3.21, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-pyridinyl)-3-[1-[(3-methyl-2-pyridinyl)carbamoylamino]pentan-3-yl]urea is sourced from PubChem (CID 47076572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).