1-buta-2,3-dienyl-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea

C14H18N4O — CID 126841002

IUPAC1-buta-2,3-dienyl-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
SMILESC=C=CCNC(=O)Nc1cccnc1N1CCCC1
InChIInChI=1S/C14H18N4O/c1-2-3-8-16-14(19)17-12-7-6-9-15-13(12)18-10-4-5-11-18/h3,6-7,9H,1,4-5,8,10-11H2,(H2,16,17,19)
InChIKeyLMGLILTWRJFSFD-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.14
Rot. Bonds4

About 1-buta-2,3-dienyl-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea

1-buta-2,3-dienyl-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea (PubChem CID 126841002) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-buta-2,3-dienyl-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-buta-2,3-dienyl-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
PubChem CID126841002
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name1-buta-2,3-dienyl-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
SMILESC=C=CCNC(=O)Nc1cccnc1N1CCCC1
InChIInChI=1S/C14H18N4O/c1-2-3-8-16-14(19)17-12-7-6-9-15-13(12)18-10-4-5-11-18/h3,6-7,9H,1,4-5,8,10-11H2,(H2,16,17,19)
InChIKeyLMGLILTWRJFSFD-UHFFFAOYSA-N
XLogP2.14
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-buta-2,3-dienyl-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea with MolForge

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Related Compounds

1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
CID 111573124
1-(2,2-diphenylethyl)-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
CID 112829342
1-[(5-methylpyrimidin-2-yl)methyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
CID 126839726
1-(2-pyrrolidin-1-yl-3-pyridinyl)-3-[[1-(1,2,4-triazol-1-yl)cyclopropyl]methyl]urea
CID 167843937
3-amino-2,2-dimethyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 115426176
1-[[(4S)-1,3-dioxan-4-yl]methyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
CID 97076924
2-methoxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 47308006
(2R)-2-amino-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)butanamide
CID 79011469
2-methylsulfanyl-N-(2-piperidin-1-yl-3-pyridinyl)propanamide
CID 47354331
4-hydroxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)pentanamide
CID 79200601
2-amino-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)pentanamide
CID 43700405
3-amino-2-methoxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 106111464

Frequently Asked Questions

What is the IUPAC name of 1-buta-2,3-dienyl-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea?
The IUPAC name of 1-buta-2,3-dienyl-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea (CID 126841002) is 1-buta-2,3-dienyl-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea.
What is the SMILES notation for 1-buta-2,3-dienyl-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea?
The canonical SMILES for 1-buta-2,3-dienyl-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea is C=C=CCNC(=O)Nc1cccnc1N1CCCC1.
What is the InChIKey of 1-buta-2,3-dienyl-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea?
The InChIKey is LMGLILTWRJFSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-2-3-8-16-14(19)17-12-7-6-9-15-13(12)18-10-4-5-11-18/h3,6-7,9H,1,4-5,8,10-11H2,(H2,16,17,19).
What are the key properties of 1-buta-2,3-dienyl-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea?
1-buta-2,3-dienyl-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea has a molecular weight of 258.32 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-buta-2,3-dienyl-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea is sourced from PubChem (CID 126841002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).