1-[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]-3-(2-pyridin-2-ylethyl)urea

C19H21ClN4O2 — CID 72852512

IUPAC1-[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]-3-(2-pyridin-2-ylethyl)urea
SMILESO=C(NCCc1ccccn1)Nc1cc(C(=O)N2CCCC2)ccc1Cl
InChIInChI=1S/C19H21ClN4O2/c20-16-7-6-14(18(25)24-11-3-4-12-24)13-17(16)23-19(26)22-10-8-15-5-1-2-9-21-15/h1-2,5-7,9,13H,3-4,8,10-12H2,(H2,22,23,26)
InChIKeyDRBCHEXBHGYNGS-UHFFFAOYSA-N
MW372.86 g/mol
LogP3.34
Rot. Bonds5

About 1-[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]-3-(2-pyridin-2-ylethyl)urea

1-[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]-3-(2-pyridin-2-ylethyl)urea (PubChem CID 72852512) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is 1-[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]-3-(2-pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name1-[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]-3-(2-pyridin-2-ylethyl)urea
PubChem CID72852512
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC Name1-[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]-3-(2-pyridin-2-ylethyl)urea
SMILESO=C(NCCc1ccccn1)Nc1cc(C(=O)N2CCCC2)ccc1Cl
InChIInChI=1S/C19H21ClN4O2/c20-16-7-6-14(18(25)24-11-3-4-12-24)13-17(16)23-19(26)22-10-8-15-5-1-2-9-21-15/h1-2,5-7,9,13H,3-4,8,10-12H2,(H2,22,23,26)
InChIKeyDRBCHEXBHGYNGS-UHFFFAOYSA-N
XLogP3.34
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-2-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111192875
3-(2-pyridin-2-ylethylcarbamoylamino)pyridine-2-carboxylic acid
CID 104743183
1-[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]-3-(1,4-dioxan-2-ylmethyl)urea
CID 118765538
1-[2-methyl-3-(morpholine-4-carbonyl)phenyl]-3-(2-pyridin-2-ylethyl)urea
CID 60569503
1-(4-bromobenzoyl)-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide
CID 29352994
N-(2-chlorophenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080420
methyl 4-chloro-3-[[4-(pyrrolidine-1-carbonyl)pyridine-2-carbonyl]amino]benzoate
CID 109080454
1-[2-chloro-5-(morpholine-4-carbonyl)phenyl]-3-(1,2-oxazol-3-ylmethyl)urea
CID 72878705
N-(2-chlorophenyl)-2-(2-pyridin-2-ylethylamino)acetamide
CID 28579213
N-(5-acetyl-2-chlorophenyl)-4-pyridin-2-ylbutanamide
CID 71917349
[4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 35901272
1-(2-pyridin-2-ylethyl)-3-quinolin-8-ylurea
CID 47032875

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]-3-(2-pyridin-2-ylethyl)urea?
The IUPAC name of 1-[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]-3-(2-pyridin-2-ylethyl)urea (CID 72852512) is 1-[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]-3-(2-pyridin-2-ylethyl)urea.
What is the SMILES notation for 1-[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]-3-(2-pyridin-2-ylethyl)urea?
The canonical SMILES for 1-[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]-3-(2-pyridin-2-ylethyl)urea is O=C(NCCc1ccccn1)Nc1cc(C(=O)N2CCCC2)ccc1Cl.
What is the InChIKey of 1-[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]-3-(2-pyridin-2-ylethyl)urea?
The InChIKey is DRBCHEXBHGYNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2/c20-16-7-6-14(18(25)24-11-3-4-12-24)13-17(16)23-19(26)22-10-8-15-5-1-2-9-21-15/h1-2,5-7,9,13H,3-4,8,10-12H2,(H2,22,23,26).
What are the key properties of 1-[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]-3-(2-pyridin-2-ylethyl)urea?
1-[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]-3-(2-pyridin-2-ylethyl)urea has a molecular weight of 372.86 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]-3-(2-pyridin-2-ylethyl)urea is sourced from PubChem (CID 72852512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).