1-[[2-(diethylamino)-3-pyridinyl]methyl]-3-propylurea

C14H24N4O — CID 26318583

IUPAC1-[[2-(diethylamino)-3-pyridinyl]methyl]-3-propylurea
SMILESCCCNC(=O)NCc1cccnc1N(CC)CC
InChIInChI=1S/C14H24N4O/c1-4-9-16-14(19)17-11-12-8-7-10-15-13(12)18(5-2)6-3/h7-8,10H,4-6,9,11H2,1-3H3,(H2,16,17,19)
InChIKeyYAERHAVDCCZMQU-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.14
Rot. Bonds7

About 1-[[2-(diethylamino)-3-pyridinyl]methyl]-3-propylurea

1-[[2-(diethylamino)-3-pyridinyl]methyl]-3-propylurea (PubChem CID 26318583) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[[2-(diethylamino)-3-pyridinyl]methyl]-3-propylurea.

Molecular Properties

Compound Name1-[[2-(diethylamino)-3-pyridinyl]methyl]-3-propylurea
PubChem CID26318583
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-[[2-(diethylamino)-3-pyridinyl]methyl]-3-propylurea
SMILESCCCNC(=O)NCc1cccnc1N(CC)CC
InChIInChI=1S/C14H24N4O/c1-4-9-16-14(19)17-11-12-8-7-10-15-13(12)18(5-2)6-3/h7-8,10H,4-6,9,11H2,1-3H3,(H2,16,17,19)
InChIKeyYAERHAVDCCZMQU-UHFFFAOYSA-N
XLogP2.14
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(diethylamino)-3-pyridinyl]methyl]-2-pyridin-4-ylacetamide
CID 42520251
3-[(tert-butylamino)methyl]-N,N-diethylpyridin-2-amine
CID 62285753
N-[[2-(diethylamino)-3-pyridinyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 56744678
(2S)-N-[[2-(diethylamino)-3-pyridinyl]methyl]-2-(2-methylimidazol-1-yl)propanamide
CID 95226094
1-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-propylurea
CID 122275511
4-N-[[2-(diethylamino)-3-pyridinyl]methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 42565685
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]urea
CID 55910993
N,N-bis(2-methylpropyl)-3-(propylaminomethyl)pyridin-2-amine
CID 62283165
N-[[2-(diethylamino)-3-pyridinyl]methyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56748172
N-[[2-(diethylamino)-3-pyridinyl]methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 56706974
N-ethyl-N-methyl-3-(propylaminomethyl)pyridin-2-amine
CID 62280397
1-[(2-methoxyphenyl)methyl]-3-propylurea
CID 94828368

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(diethylamino)-3-pyridinyl]methyl]-3-propylurea?
The IUPAC name of 1-[[2-(diethylamino)-3-pyridinyl]methyl]-3-propylurea (CID 26318583) is 1-[[2-(diethylamino)-3-pyridinyl]methyl]-3-propylurea.
What is the SMILES notation for 1-[[2-(diethylamino)-3-pyridinyl]methyl]-3-propylurea?
The canonical SMILES for 1-[[2-(diethylamino)-3-pyridinyl]methyl]-3-propylurea is CCCNC(=O)NCc1cccnc1N(CC)CC.
What is the InChIKey of 1-[[2-(diethylamino)-3-pyridinyl]methyl]-3-propylurea?
The InChIKey is YAERHAVDCCZMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-4-9-16-14(19)17-11-12-8-7-10-15-13(12)18(5-2)6-3/h7-8,10H,4-6,9,11H2,1-3H3,(H2,16,17,19).
What are the key properties of 1-[[2-(diethylamino)-3-pyridinyl]methyl]-3-propylurea?
1-[[2-(diethylamino)-3-pyridinyl]methyl]-3-propylurea has a molecular weight of 264.37 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(diethylamino)-3-pyridinyl]methyl]-3-propylurea is sourced from PubChem (CID 26318583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).