1-[6-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]-3-propan-2-ylurea

C19H23N5O — CID 113013854

IUPAC1-[6-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(NCCc2c[nH]c3ccccc23)nc1
InChIInChI=1S/C19H23N5O/c1-13(2)23-19(25)24-15-7-8-18(22-12-15)20-10-9-14-11-21-17-6-4-3-5-16(14)17/h3-8,11-13,21H,9-10H2,1-2H3,(H,20,22)(H2,23,24,25)
InChIKeyDDYDIDUEGBXKLS-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.75
Rot. Bonds6

About 1-[6-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]-3-propan-2-ylurea

1-[6-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]-3-propan-2-ylurea (PubChem CID 113013854) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 1-[6-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[6-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]-3-propan-2-ylurea
PubChem CID113013854
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name1-[6-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(NCCc2c[nH]c3ccccc23)nc1
InChIInChI=1S/C19H23N5O/c1-13(2)23-19(25)24-15-7-8-18(22-12-15)20-10-9-14-11-21-17-6-4-3-5-16(14)17/h3-8,11-13,21H,9-10H2,1-2H3,(H,20,22)(H2,23,24,25)
InChIKeyDDYDIDUEGBXKLS-UHFFFAOYSA-N
XLogP3.75
TPSA81.84 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]thiophene-2-carboxamide
CID 113013820
6-[2-(1H-indol-3-yl)ethylamino]-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109151886
1-cyclopropyl-3-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]urea
CID 113028926
2-(1H-indol-3-yl)-N-[5-(propan-2-ylamino)-2-pyridinyl]acetamide
CID 113023581
6-[2-(1H-indol-3-yl)ethylamino]-N-methyl-N-phenylpyridine-3-carboxamide
CID 109159705
N,N-diethyl-6-[2-(1H-indol-3-yl)ethylamino]pyridine-3-carboxamide
CID 109159691
3,4-difluoro-N-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]benzamide
CID 113028912
N-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]oxane-4-carboxamide
CID 113028924
N-[2-(1H-indol-3-yl)ethyl]-2-(propan-2-ylcarbamoylamino)acetamide
CID 112993944
5-(aminomethyl)-N-[2-(1H-indol-3-yl)ethyl]pyridin-2-amine
CID 95471746
N-[6-[2-(2-hydroxyethoxy)ethylamino]-3-pyridinyl]-2-(1H-indol-3-yl)acetamide
CID 28901497
2-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 108992856

Frequently Asked Questions

What is the IUPAC name of 1-[6-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]-3-propan-2-ylurea?
The IUPAC name of 1-[6-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]-3-propan-2-ylurea (CID 113013854) is 1-[6-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[6-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[6-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]-3-propan-2-ylurea is CC(C)NC(=O)Nc1ccc(NCCc2c[nH]c3ccccc23)nc1.
What is the InChIKey of 1-[6-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]-3-propan-2-ylurea?
The InChIKey is DDYDIDUEGBXKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-13(2)23-19(25)24-15-7-8-18(22-12-15)20-10-9-14-11-21-17-6-4-3-5-16(14)17/h3-8,11-13,21H,9-10H2,1-2H3,(H,20,22)(H2,23,24,25).
What are the key properties of 1-[6-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]-3-propan-2-ylurea?
1-[6-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]-3-propan-2-ylurea has a molecular weight of 337.43 g/mol, XLogP of 3.75, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]-3-propan-2-ylurea is sourced from PubChem (CID 113013854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).