1-[1-(3-methyl-1H-inden-2-yl)ethyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea

C22H26N4O — CID 166532937

IUPAC1-[1-(3-methyl-1H-inden-2-yl)ethyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
SMILESCC1=C(C(C)NC(=O)Nc2ccc(N3CCCC3)nc2)Cc2ccccc21
InChIInChI=1S/C22H26N4O/c1-15-19-8-4-3-7-17(19)13-20(15)16(2)24-22(27)25-18-9-10-21(23-14-18)26-11-5-6-12-26/h3-4,7-10,14,16H,5-6,11-13H2,1-2H3,(H2,24,25,27)
InChIKeyUIPBKYQIFLQWRF-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.22
Rot. Bonds4

About 1-[1-(3-methyl-1H-inden-2-yl)ethyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea

1-[1-(3-methyl-1H-inden-2-yl)ethyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea (PubChem CID 166532937) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 1-[1-(3-methyl-1H-inden-2-yl)ethyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[1-(3-methyl-1H-inden-2-yl)ethyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
PubChem CID166532937
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name1-[1-(3-methyl-1H-inden-2-yl)ethyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
SMILESCC1=C(C(C)NC(=O)Nc2ccc(N3CCCC3)nc2)Cc2ccccc21
InChIInChI=1S/C22H26N4O/c1-15-19-8-4-3-7-17(19)13-20(15)16(2)24-22(27)25-18-9-10-21(23-14-18)26-11-5-6-12-26/h3-4,7-10,14,16H,5-6,11-13H2,1-2H3,(H2,24,25,27)
InChIKeyUIPBKYQIFLQWRF-UHFFFAOYSA-N
XLogP4.22
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-(3-methyl-1H-inden-2-yl)ethyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea with MolForge

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Related Compounds

1-(1-hydroxypropan-2-yl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
CID 47221133
1-propan-2-yl-3-[6-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]urea
CID 113014511
1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
CID 94164669
2-methyl-N-[3-methyl-1-oxo-1-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butan-2-yl]benzamide
CID 43041619
1-[6-[4-(3-methylbutyl)-1,4-diazepan-1-yl]-3-pyridinyl]-3-phenylurea
CID 42857808
4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)pentanamide;dihydrochloride
CID 120564420
1-[2-(dimethylamino)-2-phenylethyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
CID 55740490
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
CID 53499736
3-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide
CID 60836509
2-acetamido-3-methyl-N-(6-piperidin-1-yl-3-pyridinyl)butanamide
CID 18143999
2-chloro-N-[3-methyl-1-oxo-1-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butan-2-yl]benzamide
CID 46533335
(2R)-2-imidazol-1-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 94068119

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methyl-1H-inden-2-yl)ethyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea?
The IUPAC name of 1-[1-(3-methyl-1H-inden-2-yl)ethyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea (CID 166532937) is 1-[1-(3-methyl-1H-inden-2-yl)ethyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea.
What is the SMILES notation for 1-[1-(3-methyl-1H-inden-2-yl)ethyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea?
The canonical SMILES for 1-[1-(3-methyl-1H-inden-2-yl)ethyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea is CC1=C(C(C)NC(=O)Nc2ccc(N3CCCC3)nc2)Cc2ccccc21.
What is the InChIKey of 1-[1-(3-methyl-1H-inden-2-yl)ethyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea?
The InChIKey is UIPBKYQIFLQWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-15-19-8-4-3-7-17(19)13-20(15)16(2)24-22(27)25-18-9-10-21(23-14-18)26-11-5-6-12-26/h3-4,7-10,14,16H,5-6,11-13H2,1-2H3,(H2,24,25,27).
What are the key properties of 1-[1-(3-methyl-1H-inden-2-yl)ethyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea?
1-[1-(3-methyl-1H-inden-2-yl)ethyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea has a molecular weight of 362.48 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methyl-1H-inden-2-yl)ethyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea is sourced from PubChem (CID 166532937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).