1-[(3R)-3-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]-3-prop-2-ynylurea

C15H18N4O2 — CID 87887120

IUPAC1-[(3R)-3-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]-3-prop-2-ynylurea
SMILESC#CCNC(=O)N[C@]1(C(=O)c2ccc(C)nc2)CCNC1
InChIInChI=1S/C15H18N4O2/c1-3-7-17-14(21)19-15(6-8-16-10-15)13(20)12-5-4-11(2)18-9-12/h1,4-5,9,16H,6-8,10H2,2H3,(H2,17,19,21)/t15-/m1/s1
InChIKeySVYYCLMOJWTOMS-OAHLLOKOSA-N
MW286.34 g/mol
LogP0.24
Rot. Bonds4

About 1-[(3R)-3-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]-3-prop-2-ynylurea

1-[(3R)-3-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]-3-prop-2-ynylurea (PubChem CID 87887120) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 1-[(3R)-3-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]-3-prop-2-ynylurea.

Molecular Properties

Compound Name1-[(3R)-3-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]-3-prop-2-ynylurea
PubChem CID87887120
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name1-[(3R)-3-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]-3-prop-2-ynylurea
SMILESC#CCNC(=O)N[C@]1(C(=O)c2ccc(C)nc2)CCNC1
InChIInChI=1S/C15H18N4O2/c1-3-7-17-14(21)19-15(6-8-16-10-15)13(20)12-5-4-11(2)18-9-12/h1,4-5,9,16H,6-8,10H2,2H3,(H2,17,19,21)/t15-/m1/s1
InChIKeySVYYCLMOJWTOMS-OAHLLOKOSA-N
XLogP0.24
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]-3-prop-2-ynylurea?
The IUPAC name of 1-[(3R)-3-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]-3-prop-2-ynylurea (CID 87887120) is 1-[(3R)-3-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]-3-prop-2-ynylurea.
What is the SMILES notation for 1-[(3R)-3-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]-3-prop-2-ynylurea?
The canonical SMILES for 1-[(3R)-3-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]-3-prop-2-ynylurea is C#CCNC(=O)N[C@]1(C(=O)c2ccc(C)nc2)CCNC1.
What is the InChIKey of 1-[(3R)-3-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]-3-prop-2-ynylurea?
The InChIKey is SVYYCLMOJWTOMS-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-3-7-17-14(21)19-15(6-8-16-10-15)13(20)12-5-4-11(2)18-9-12/h1,4-5,9,16H,6-8,10H2,2H3,(H2,17,19,21)/t15-/m1/s1.
What are the key properties of 1-[(3R)-3-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]-3-prop-2-ynylurea?
1-[(3R)-3-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]-3-prop-2-ynylurea has a molecular weight of 286.34 g/mol, XLogP of 0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]-3-prop-2-ynylurea is sourced from PubChem (CID 87887120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).