2-oxo-7-propan-2-yloxy-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]chromene-3-carboxamide

C24H27N3O4 — CID 171911394

IUPAC2-oxo-7-propan-2-yloxy-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]chromene-3-carboxamide
SMILESCC(C)Oc1ccc2cc(C(=O)NC3CCN(Cc4cccnc4)CC3)c(=O)oc2c1
InChIInChI=1S/C24H27N3O4/c1-16(2)30-20-6-5-18-12-21(24(29)31-22(18)13-20)23(28)26-19-7-10-27(11-8-19)15-17-4-3-9-25-14-17/h3-6,9,12-14,16,19H,7-8,10-11,15H2,1-2H3,(H,26,28)
InChIKeyMFWWMDYXIFVQTB-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.37
Rot. Bonds6

About 2-oxo-7-propan-2-yloxy-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]chromene-3-carboxamide

2-oxo-7-propan-2-yloxy-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]chromene-3-carboxamide (PubChem CID 171911394) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is 2-oxo-7-propan-2-yloxy-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-7-propan-2-yloxy-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]chromene-3-carboxamide
PubChem CID171911394
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name2-oxo-7-propan-2-yloxy-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]chromene-3-carboxamide
SMILESCC(C)Oc1ccc2cc(C(=O)NC3CCN(Cc4cccnc4)CC3)c(=O)oc2c1
InChIInChI=1S/C24H27N3O4/c1-16(2)30-20-6-5-18-12-21(24(29)31-22(18)13-20)23(28)26-19-7-10-27(11-8-19)15-17-4-3-9-25-14-17/h3-6,9,12-14,16,19H,7-8,10-11,15H2,1-2H3,(H,26,28)
InChIKeyMFWWMDYXIFVQTB-UHFFFAOYSA-N
XLogP3.37
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

2-oxo-7-propan-2-yloxy-N-(pyridin-3-ylmethyl)chromene-3-carboxamide
CID 171388806
(2R)-2-amino-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanamide;hydrochloride
CID 120872926
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-oxochromene-3-carboxamide
CID 18121067
N-(1-benzylpiperidin-4-yl)-7-[[1-[(2-chlorophenyl)methyl]triazol-4-yl]methoxy]-2-oxochromene-3-carboxamide
CID 155512698
N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]quinoline-3-carboxamide
CID 171061363
N-cycloheptyl-7-methoxy-2-oxochromene-3-carboxamide
CID 100795138
N-[2-(4-chloropyrazol-1-yl)ethyl]-2-oxo-7-propan-2-yloxychromene-3-carboxamide
CID 171914487
2-(4-methoxyphenyl)-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 16895811
N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]naphthalene-2-carboxamide
CID 16895883
[3-(cyclohexylcarbamoyl)-2-oxochromen-7-yl] butanoate
CID 19185659
N',N'-diethyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]butanediamide
CID 154795042
2-oxo-N-(1-pyridin-3-ylpropan-2-yl)chromene-3-carboxamide
CID 171388211

Frequently Asked Questions

What is the IUPAC name of 2-oxo-7-propan-2-yloxy-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]chromene-3-carboxamide?
The IUPAC name of 2-oxo-7-propan-2-yloxy-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]chromene-3-carboxamide (CID 171911394) is 2-oxo-7-propan-2-yloxy-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]chromene-3-carboxamide.
What is the SMILES notation for 2-oxo-7-propan-2-yloxy-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]chromene-3-carboxamide?
The canonical SMILES for 2-oxo-7-propan-2-yloxy-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]chromene-3-carboxamide is CC(C)Oc1ccc2cc(C(=O)NC3CCN(Cc4cccnc4)CC3)c(=O)oc2c1.
What is the InChIKey of 2-oxo-7-propan-2-yloxy-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]chromene-3-carboxamide?
The InChIKey is MFWWMDYXIFVQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-16(2)30-20-6-5-18-12-21(24(29)31-22(18)13-20)23(28)26-19-7-10-27(11-8-19)15-17-4-3-9-25-14-17/h3-6,9,12-14,16,19H,7-8,10-11,15H2,1-2H3,(H,26,28).
What are the key properties of 2-oxo-7-propan-2-yloxy-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]chromene-3-carboxamide?
2-oxo-7-propan-2-yloxy-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]chromene-3-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-7-propan-2-yloxy-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]chromene-3-carboxamide is sourced from PubChem (CID 171911394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).