1-[4-(6-cyano-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)-6-phenyl-3-pyridinyl]-3-ethylurea

C29H27N5O4 — CID 59311910

IUPAC1-[4-(6-cyano-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)-6-phenyl-3-pyridinyl]-3-ethylurea
SMILESCCNC(=O)Nc1cnc(-c2ccccc2)cc1C(=O)N1CCC2(CC1)CC(=O)c1cc(C#N)ccc1O2
InChIInChI=1S/C29H27N5O4/c1-2-31-28(37)33-24-18-32-23(20-6-4-3-5-7-20)15-21(24)27(36)34-12-10-29(11-13-34)16-25(35)22-14-19(17-30)8-9-26(22)38-29/h3-9,14-15,18H,2,10-13,16H2,1H3,(H2,31,33,37)
InChIKeyDTHXOAAUBRPTIJ-UHFFFAOYSA-N
MW509.57 g/mol
LogP4.40
Rot. Bonds4

About 1-[4-(6-cyano-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)-6-phenyl-3-pyridinyl]-3-ethylurea

1-[4-(6-cyano-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)-6-phenyl-3-pyridinyl]-3-ethylurea (PubChem CID 59311910) has the molecular formula C29H27N5O4 and a molecular weight of 509.57 g/mol. Its IUPAC name is 1-[4-(6-cyano-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)-6-phenyl-3-pyridinyl]-3-ethylurea.

Molecular Properties

Compound Name1-[4-(6-cyano-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)-6-phenyl-3-pyridinyl]-3-ethylurea
PubChem CID59311910
Molecular FormulaC29H27N5O4
Molecular Weight509.57 g/mol
Exact Mass509.21
IUPAC Name1-[4-(6-cyano-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)-6-phenyl-3-pyridinyl]-3-ethylurea
SMILESCCNC(=O)Nc1cnc(-c2ccccc2)cc1C(=O)N1CCC2(CC1)CC(=O)c1cc(C#N)ccc1O2
InChIInChI=1S/C29H27N5O4/c1-2-31-28(37)33-24-18-32-23(20-6-4-3-5-7-20)15-21(24)27(36)34-12-10-29(11-13-34)16-25(35)22-14-19(17-30)8-9-26(22)38-29/h3-9,14-15,18H,2,10-13,16H2,1H3,(H2,31,33,37)
InChIKeyDTHXOAAUBRPTIJ-UHFFFAOYSA-N
XLogP4.40
TPSA124.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.57
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-(6-cyano-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)-6-phenyl-3-pyridinyl]-3-ethylurea with MolForge

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Related Compounds

6-cyano-N,N-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
CID 100760519
1'-benzylsulfonyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-carbonitrile
CID 100760559
[3-(6-cyano-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)-6-methoxy-1-benzothiophen-2-yl]carbamic acid
CID 68665025
N-ethyl-6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbothioamide
CID 108781779
1-ethyl-3-[3-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)-1-benzothiophen-2-yl]urea
CID 59312056
1'-(2-iodobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108757554
2-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzoic acid
CID 7260656
1-[4-anilino-5-(morpholine-4-carbonyl)-2-pyridinyl]-3-ethylurea
CID 71621323
6-methoxy-1'-(2-phenoxyacetyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 44770200
(E)-3-[1'-(ethylcarbamoyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]prop-2-enoic acid
CID 66932561
1'-benzoyl-6-bromospiro[3H-chromene-2,4'-piperidine]-4-one
CID 44770141
1'-benzoyl-6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one
CID 125498789

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-cyano-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)-6-phenyl-3-pyridinyl]-3-ethylurea?
The IUPAC name of 1-[4-(6-cyano-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)-6-phenyl-3-pyridinyl]-3-ethylurea (CID 59311910) is 1-[4-(6-cyano-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)-6-phenyl-3-pyridinyl]-3-ethylurea.
What is the SMILES notation for 1-[4-(6-cyano-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)-6-phenyl-3-pyridinyl]-3-ethylurea?
The canonical SMILES for 1-[4-(6-cyano-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)-6-phenyl-3-pyridinyl]-3-ethylurea is CCNC(=O)Nc1cnc(-c2ccccc2)cc1C(=O)N1CCC2(CC1)CC(=O)c1cc(C#N)ccc1O2.
What is the InChIKey of 1-[4-(6-cyano-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)-6-phenyl-3-pyridinyl]-3-ethylurea?
The InChIKey is DTHXOAAUBRPTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5O4/c1-2-31-28(37)33-24-18-32-23(20-6-4-3-5-7-20)15-21(24)27(36)34-12-10-29(11-13-34)16-25(35)22-14-19(17-30)8-9-26(22)38-29/h3-9,14-15,18H,2,10-13,16H2,1H3,(H2,31,33,37).
What are the key properties of 1-[4-(6-cyano-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)-6-phenyl-3-pyridinyl]-3-ethylurea?
1-[4-(6-cyano-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)-6-phenyl-3-pyridinyl]-3-ethylurea has a molecular weight of 509.57 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-cyano-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)-6-phenyl-3-pyridinyl]-3-ethylurea is sourced from PubChem (CID 59311910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).