1-[1-(5-amino-2-pyridinyl)pyrrolidin-3-yl]-3-(2-fluorophenyl)urea

C16H18FN5O — CID 67293554

IUPAC1-[1-(5-amino-2-pyridinyl)pyrrolidin-3-yl]-3-(2-fluorophenyl)urea
SMILESNc1ccc(N2CCC(NC(=O)Nc3ccccc3F)C2)nc1
InChIInChI=1S/C16H18FN5O/c17-13-3-1-2-4-14(13)21-16(23)20-12-7-8-22(10-12)15-6-5-11(18)9-19-15/h1-6,9,12H,7-8,10,18H2,(H2,20,21,23)
InChIKeyYYXWUQIVFDEFLA-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.20
Rot. Bonds3

About 1-[1-(5-amino-2-pyridinyl)pyrrolidin-3-yl]-3-(2-fluorophenyl)urea

1-[1-(5-amino-2-pyridinyl)pyrrolidin-3-yl]-3-(2-fluorophenyl)urea (PubChem CID 67293554) has the molecular formula C16H18FN5O and a molecular weight of 315.35 g/mol. Its IUPAC name is 1-[1-(5-amino-2-pyridinyl)pyrrolidin-3-yl]-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-[1-(5-amino-2-pyridinyl)pyrrolidin-3-yl]-3-(2-fluorophenyl)urea
PubChem CID67293554
Molecular FormulaC16H18FN5O
Molecular Weight315.35 g/mol
Exact Mass315.15
IUPAC Name1-[1-(5-amino-2-pyridinyl)pyrrolidin-3-yl]-3-(2-fluorophenyl)urea
SMILESNc1ccc(N2CCC(NC(=O)Nc3ccccc3F)C2)nc1
InChIInChI=1S/C16H18FN5O/c17-13-3-1-2-4-14(13)21-16(23)20-12-7-8-22(10-12)15-6-5-11(18)9-19-15/h1-6,9,12H,7-8,10,18H2,(H2,20,21,23)
InChIKeyYYXWUQIVFDEFLA-UHFFFAOYSA-N
XLogP2.20
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-3-[(3R)-1-phenylpyrrolidin-3-yl]urea
CID 95283122
1-(2,3-difluorophenyl)-3-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]urea
CID 97241131
1-(2,3-difluorophenyl)-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea
CID 97241132
1-(3-fluoro-4-pyridinyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 75506392
4-(5-amino-2-pyridinyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 66765224
4-(5-amino-2-pyridinyl)-N-(2-fluorophenyl)-2-oxopiperazine-1-carboxamide
CID 67391269
1-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3-(2-fluorophenyl)urea
CID 95051771
1-(2-fluorophenyl)-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]urea
CID 155902664
1-(4-fluorophenyl)-3-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]urea
CID 99874842
2-fluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142573
1-(4-chlorophenyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 90621421
1-(4-fluorophenyl)-3-[(3S)-1-(5-nitro-2-pyridinyl)pyrrolidin-3-yl]urea
CID 95275164

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-amino-2-pyridinyl)pyrrolidin-3-yl]-3-(2-fluorophenyl)urea?
The IUPAC name of 1-[1-(5-amino-2-pyridinyl)pyrrolidin-3-yl]-3-(2-fluorophenyl)urea (CID 67293554) is 1-[1-(5-amino-2-pyridinyl)pyrrolidin-3-yl]-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-[1-(5-amino-2-pyridinyl)pyrrolidin-3-yl]-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-[1-(5-amino-2-pyridinyl)pyrrolidin-3-yl]-3-(2-fluorophenyl)urea is Nc1ccc(N2CCC(NC(=O)Nc3ccccc3F)C2)nc1.
What is the InChIKey of 1-[1-(5-amino-2-pyridinyl)pyrrolidin-3-yl]-3-(2-fluorophenyl)urea?
The InChIKey is YYXWUQIVFDEFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O/c17-13-3-1-2-4-14(13)21-16(23)20-12-7-8-22(10-12)15-6-5-11(18)9-19-15/h1-6,9,12H,7-8,10,18H2,(H2,20,21,23).
What are the key properties of 1-[1-(5-amino-2-pyridinyl)pyrrolidin-3-yl]-3-(2-fluorophenyl)urea?
1-[1-(5-amino-2-pyridinyl)pyrrolidin-3-yl]-3-(2-fluorophenyl)urea has a molecular weight of 315.35 g/mol, XLogP of 2.20, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-amino-2-pyridinyl)pyrrolidin-3-yl]-3-(2-fluorophenyl)urea is sourced from PubChem (CID 67293554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).