carbonic acid;2-[4-[(5-chloro-2-oxo-1-pyridinyl)methyl]phenyl]-2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]acetamide

C30H33ClN2O5 — CID 68752735

IUPACcarbonic acid;2-[4-[(5-chloro-2-oxo-1-pyridinyl)methyl]phenyl]-2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]acetamide
SMILESO=C(Nc1cccc(CC2CC2)c1)C(c1ccc(Cn2cc(Cl)ccc2=O)cc1)C1CCCC1.O=C(O)O
InChIInChI=1S/C29H31ClN2O2.CH2O3/c30-25-14-15-27(33)32(19-25)18-21-10-12-24(13-11-21)28(23-5-1-2-6-23)29(34)31-26-7-3-4-22(17-26)16-20-8-9-20;2-1(3)4/h3-4,7,10-15,17,19-20,23,28H,1-2,5-6,8-9,16,18H2,(H,31,34);(H2,2,3,4)
InChIKeyPBJVATVFYIYAPJ-UHFFFAOYSA-N
MW537.06 g/mol
LogP6.64
Rot. Bonds8

About carbonic acid;2-[4-[(5-chloro-2-oxo-1-pyridinyl)methyl]phenyl]-2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]acetamide

carbonic acid;2-[4-[(5-chloro-2-oxo-1-pyridinyl)methyl]phenyl]-2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]acetamide (PubChem CID 68752735) has the molecular formula C30H33ClN2O5 and a molecular weight of 537.06 g/mol. Its IUPAC name is carbonic acid;2-[4-[(5-chloro-2-oxo-1-pyridinyl)methyl]phenyl]-2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]acetamide.

Molecular Properties

Compound Namecarbonic acid;2-[4-[(5-chloro-2-oxo-1-pyridinyl)methyl]phenyl]-2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]acetamide
PubChem CID68752735
Molecular FormulaC30H33ClN2O5
Molecular Weight537.06 g/mol
Exact Mass536.21
IUPAC Namecarbonic acid;2-[4-[(5-chloro-2-oxo-1-pyridinyl)methyl]phenyl]-2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]acetamide
SMILESO=C(Nc1cccc(CC2CC2)c1)C(c1ccc(Cn2cc(Cl)ccc2=O)cc1)C1CCCC1.O=C(O)O
InChIInChI=1S/C29H31ClN2O2.CH2O3/c30-25-14-15-27(33)32(19-25)18-21-10-12-24(13-11-21)28(23-5-1-2-6-23)29(34)31-26-7-3-4-22(17-26)16-20-8-9-20;2-1(3)4/h3-4,7,10-15,17,19-20,23,28H,1-2,5-6,8-9,16,18H2,(H,31,34);(H2,2,3,4)
InChIKeyPBJVATVFYIYAPJ-UHFFFAOYSA-N
XLogP6.64
TPSA108.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.06
LogP ≤ 56.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze carbonic acid;2-[4-[(5-chloro-2-oxo-1-pyridinyl)methyl]phenyl]-2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]acetamide with MolForge

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Related Compounds

2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]-2-[4-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]acetamide
CID 68751327
(2S)-2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]-2-(4-methylphenyl)acetamide
CID 118091164
carbonic acid;(2S)-2-(4-chloro-2-fluorophenyl)-2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]acetamide
CID 118091048
2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 118091125
tert-butyl 3-[3-[[(2S)-2-cyclopentyl-2-[4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]acetyl]amino]phenyl]propanoate
CID 58136427
[3-[[2-(4-chlorophenyl)-2-cyclopentylacetyl]amino]phenyl]methyl cyclopropanecarboxylate
CID 174698422
carbonic acid;2-cyclopentyl-N-[3-(cyclopropylmethyl)-5-fluorophenyl]-2-[4-[(5-oxo-2-phenyl-1,3,4-oxadiazin-4-yl)methyl]phenyl]acetamide
CID 66899410
3-[[2-[4-[[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]methyl]phenyl]-2-cyclopentylacetyl]amino]benzoic acid
CID 58136730
tert-butyl 1-[[3-[[2-cyclopentyl-2-[4-[(3-methyl-2-oxo-1-pyridinyl)methyl]phenyl]acetyl]amino]phenyl]methyl]cyclopropane-1-carboxylate
CID 58136355
2-cyclopentyl-N,2-diphenylacetamide
CID 2794045
2-[4-[(2-chloro-9-oxoacridin-10-yl)methyl]phenyl]-2-cyclopentyl-N'-phenylacetohydrazide
CID 139914686
1-[[3-[[(2S)-2-cyclopentyl-2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenyl]methyl]cyclopropane-1-carboxylic acid
CID 57344330

Frequently Asked Questions

What is the IUPAC name of carbonic acid;2-[4-[(5-chloro-2-oxo-1-pyridinyl)methyl]phenyl]-2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]acetamide?
The IUPAC name of carbonic acid;2-[4-[(5-chloro-2-oxo-1-pyridinyl)methyl]phenyl]-2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]acetamide (CID 68752735) is carbonic acid;2-[4-[(5-chloro-2-oxo-1-pyridinyl)methyl]phenyl]-2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]acetamide.
What is the SMILES notation for carbonic acid;2-[4-[(5-chloro-2-oxo-1-pyridinyl)methyl]phenyl]-2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]acetamide?
The canonical SMILES for carbonic acid;2-[4-[(5-chloro-2-oxo-1-pyridinyl)methyl]phenyl]-2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]acetamide is O=C(Nc1cccc(CC2CC2)c1)C(c1ccc(Cn2cc(Cl)ccc2=O)cc1)C1CCCC1.O=C(O)O.
What is the InChIKey of carbonic acid;2-[4-[(5-chloro-2-oxo-1-pyridinyl)methyl]phenyl]-2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]acetamide?
The InChIKey is PBJVATVFYIYAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31ClN2O2.CH2O3/c30-25-14-15-27(33)32(19-25)18-21-10-12-24(13-11-21)28(23-5-1-2-6-23)29(34)31-26-7-3-4-22(17-26)16-20-8-9-20;2-1(3)4/h3-4,7,10-15,17,19-20,23,28H,1-2,5-6,8-9,16,18H2,(H,31,34);(H2,2,3,4).
What are the key properties of carbonic acid;2-[4-[(5-chloro-2-oxo-1-pyridinyl)methyl]phenyl]-2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]acetamide?
carbonic acid;2-[4-[(5-chloro-2-oxo-1-pyridinyl)methyl]phenyl]-2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]acetamide has a molecular weight of 537.06 g/mol, XLogP of 6.64, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;2-[4-[(5-chloro-2-oxo-1-pyridinyl)methyl]phenyl]-2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]acetamide is sourced from PubChem (CID 68752735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).