1-[(3S)-1-cyclopropylpyrrolidin-3-yl]-3-(3-methyl-2-pyridinyl)urea

C14H20N4O — CID 94199597

IUPAC1-[(3S)-1-cyclopropylpyrrolidin-3-yl]-3-(3-methyl-2-pyridinyl)urea
SMILESCc1cccnc1NC(=O)N[C@H]1CCN(C2CC2)C1
InChIInChI=1S/C14H20N4O/c1-10-3-2-7-15-13(10)17-14(19)16-11-6-8-18(9-11)12-4-5-12/h2-3,7,11-12H,4-6,8-9H2,1H3,(H2,15,16,17,19)/t11-/m0/s1
InChIKeyKYELXJWOTKYGQE-NSHDSACASA-N
MW260.34 g/mol
LogP1.75
Rot. Bonds3

About 1-[(3S)-1-cyclopropylpyrrolidin-3-yl]-3-(3-methyl-2-pyridinyl)urea

1-[(3S)-1-cyclopropylpyrrolidin-3-yl]-3-(3-methyl-2-pyridinyl)urea (PubChem CID 94199597) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-[(3S)-1-cyclopropylpyrrolidin-3-yl]-3-(3-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-[(3S)-1-cyclopropylpyrrolidin-3-yl]-3-(3-methyl-2-pyridinyl)urea
PubChem CID94199597
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name1-[(3S)-1-cyclopropylpyrrolidin-3-yl]-3-(3-methyl-2-pyridinyl)urea
SMILESCc1cccnc1NC(=O)N[C@H]1CCN(C2CC2)C1
InChIInChI=1S/C14H20N4O/c1-10-3-2-7-15-13(10)17-14(19)16-11-6-8-18(9-11)12-4-5-12/h2-3,7,11-12H,4-6,8-9H2,1H3,(H2,15,16,17,19)/t11-/m0/s1
InChIKeyKYELXJWOTKYGQE-NSHDSACASA-N
XLogP1.75
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(3S)-1-cyclopropylpyrrolidin-3-yl]-3-(3-methyl-2-pyridinyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-cyclopropylpyrrolidin-3-yl)-3-phenylurea
CID 47816038
N-(1-cyclopropylpyrrolidin-3-yl)-2-(ethylamino)pyridine-3-carboxamide
CID 62173888
1-(5-bromo-2-methylphenyl)-3-[(3S)-1-cyclopropylpyrrolidin-3-yl]urea
CID 95628234
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(3-methyl-2-pyridinyl)urea
CID 108876657
1-methyl-3-(3-methyl-2-pyridinyl)urea
CID 17171367
1-cyclobutyl-3-(1-cyclopropylpyrrolidin-3-yl)urea
CID 115629326
1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(3-methyl-2-pyridinyl)urea
CID 16801441
1-(1-cyclopropylpyrrolidin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 51102219
1-N-cyclooctyl-3-N-(3-methyl-2-pyridinyl)piperidine-1,3-dicarboxamide
CID 71889679
N-(1-cyclopentylpyrrolidin-3-yl)-3-fluoropyridine-2-carboxamide
CID 110474904
1-(1-cyclopropylpiperidin-4-yl)-3-(4-methylphenyl)urea
CID 17457458
N-(1-cyclopropylpyrrolidin-3-yl)-2-phenylsulfanylpyridine-3-carboxamide
CID 47074740

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-cyclopropylpyrrolidin-3-yl]-3-(3-methyl-2-pyridinyl)urea?
The IUPAC name of 1-[(3S)-1-cyclopropylpyrrolidin-3-yl]-3-(3-methyl-2-pyridinyl)urea (CID 94199597) is 1-[(3S)-1-cyclopropylpyrrolidin-3-yl]-3-(3-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-[(3S)-1-cyclopropylpyrrolidin-3-yl]-3-(3-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-[(3S)-1-cyclopropylpyrrolidin-3-yl]-3-(3-methyl-2-pyridinyl)urea is Cc1cccnc1NC(=O)N[C@H]1CCN(C2CC2)C1.
What is the InChIKey of 1-[(3S)-1-cyclopropylpyrrolidin-3-yl]-3-(3-methyl-2-pyridinyl)urea?
The InChIKey is KYELXJWOTKYGQE-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N4O/c1-10-3-2-7-15-13(10)17-14(19)16-11-6-8-18(9-11)12-4-5-12/h2-3,7,11-12H,4-6,8-9H2,1H3,(H2,15,16,17,19)/t11-/m0/s1.
What are the key properties of 1-[(3S)-1-cyclopropylpyrrolidin-3-yl]-3-(3-methyl-2-pyridinyl)urea?
1-[(3S)-1-cyclopropylpyrrolidin-3-yl]-3-(3-methyl-2-pyridinyl)urea has a molecular weight of 260.34 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-cyclopropylpyrrolidin-3-yl]-3-(3-methyl-2-pyridinyl)urea is sourced from PubChem (CID 94199597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).