1-cyclopropyl-3-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]urea

C19H21N5O — CID 113028926

IUPAC1-cyclopropyl-3-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]urea
SMILESO=C(Nc1ccc(NCCc2c[nH]c3ccccc23)cn1)NC1CC1
InChIInChI=1S/C19H21N5O/c25-19(23-14-5-6-14)24-18-8-7-15(12-22-18)20-10-9-13-11-21-17-4-2-1-3-16(13)17/h1-4,7-8,11-12,14,20-21H,5-6,9-10H2,(H2,22,23,24,25)
InChIKeyJYRMHUJEGBOFEQ-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.50
Rot. Bonds6

About 1-cyclopropyl-3-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]urea

1-cyclopropyl-3-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]urea (PubChem CID 113028926) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-cyclopropyl-3-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]urea
PubChem CID113028926
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name1-cyclopropyl-3-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]urea
SMILESO=C(Nc1ccc(NCCc2c[nH]c3ccccc23)cn1)NC1CC1
InChIInChI=1S/C19H21N5O/c25-19(23-14-5-6-14)24-18-8-7-15(12-22-18)20-10-9-13-11-21-17-4-2-1-3-16(13)17/h1-4,7-8,11-12,14,20-21H,5-6,9-10H2,(H2,22,23,24,25)
InChIKeyJYRMHUJEGBOFEQ-UHFFFAOYSA-N
XLogP3.50
TPSA81.84 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]oxane-4-carboxamide
CID 113028924
N-cyclopropyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-5-carboxamide
CID 109247309
1-cyclohexyl-3-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]urea
CID 113028217
N-[6-(cyclopropylamino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide
CID 113009220
N-cyclopropyl-5-[2-(1H-indol-3-yl)ethylamino]pyridine-3-carboxamide
CID 109223605
3,4-difluoro-N-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]benzamide
CID 113028912
1-[6-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]-3-propan-2-ylurea
CID 113013854
N-cyclopentyl-4-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
CID 109204033
N-cyclohexyl-4-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
CID 109204779
N-cyclopropyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
CID 109295766
N-[6-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]thiophene-2-carboxamide
CID 113013820
N-cyclohexyl-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
CID 109342013

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]urea?
The IUPAC name of 1-cyclopropyl-3-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]urea (CID 113028926) is 1-cyclopropyl-3-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]urea is O=C(Nc1ccc(NCCc2c[nH]c3ccccc23)cn1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]urea?
The InChIKey is JYRMHUJEGBOFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c25-19(23-14-5-6-14)24-18-8-7-15(12-22-18)20-10-9-13-11-21-17-4-2-1-3-16(13)17/h1-4,7-8,11-12,14,20-21H,5-6,9-10H2,(H2,22,23,24,25).
What are the key properties of 1-cyclopropyl-3-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]urea?
1-cyclopropyl-3-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]urea has a molecular weight of 335.41 g/mol, XLogP of 3.50, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]urea is sourced from PubChem (CID 113028926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).