N-cyclohexyl-7-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-2-oxo-5-piperidin-3-yl-1,4-dihydropyrido[2,3-d]pyrimidine-3-carboxamide

C29H37N5O4 — CID 135469661

IUPACN-cyclohexyl-7-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-2-oxo-5-piperidin-3-yl-1,4-dihydropyrido[2,3-d]pyrimidine-3-carboxamide
SMILESO=C1Nc2nc(-c3c(O)cccc3OCC3CC3)cc(C3CCCNC3)c2CN1C(=O)NC1CCCCC1
InChIInChI=1S/C29H37N5O4/c35-24-9-4-10-25(38-17-18-11-12-18)26(24)23-14-21(19-6-5-13-30-15-19)22-16-34(29(37)33-27(22)32-23)28(36)31-20-7-2-1-3-8-20/h4,9-10,14,18-20,30,35H,1-3,5-8,11-13,15-17H2,(H,31,36)(H,32,33,37)
InChIKeyPDWNQCVLGMHWDC-UHFFFAOYSA-N
MW519.65 g/mol
LogP5.10
Rot. Bonds6

About N-cyclohexyl-7-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-2-oxo-5-piperidin-3-yl-1,4-dihydropyrido[2,3-d]pyrimidine-3-carboxamide

N-cyclohexyl-7-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-2-oxo-5-piperidin-3-yl-1,4-dihydropyrido[2,3-d]pyrimidine-3-carboxamide (PubChem CID 135469661) has the molecular formula C29H37N5O4 and a molecular weight of 519.65 g/mol. Its IUPAC name is N-cyclohexyl-7-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-2-oxo-5-piperidin-3-yl-1,4-dihydropyrido[2,3-d]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-7-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-2-oxo-5-piperidin-3-yl-1,4-dihydropyrido[2,3-d]pyrimidine-3-carboxamide
PubChem CID135469661
Molecular FormulaC29H37N5O4
Molecular Weight519.65 g/mol
Exact Mass519.28
IUPAC NameN-cyclohexyl-7-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-2-oxo-5-piperidin-3-yl-1,4-dihydropyrido[2,3-d]pyrimidine-3-carboxamide
SMILESO=C1Nc2nc(-c3c(O)cccc3OCC3CC3)cc(C3CCCNC3)c2CN1C(=O)NC1CCCCC1
InChIInChI=1S/C29H37N5O4/c35-24-9-4-10-25(38-17-18-11-12-18)26(24)23-14-21(19-6-5-13-30-15-19)22-16-34(29(37)33-27(22)32-23)28(36)31-20-7-2-1-3-8-20/h4,9-10,14,18-20,30,35H,1-3,5-8,11-13,15-17H2,(H,31,36)(H,32,33,37)
InChIKeyPDWNQCVLGMHWDC-UHFFFAOYSA-N
XLogP5.10
TPSA115.82 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.65
LogP ≤ 55.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

7-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-5-piperidin-3-yl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one;ethane
CID 142804159
7-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-2-oxo-5-piperidin-3-yl-3,4-dihydro-1H-1,8-naphthyridine-3-carboxamide
CID 135453449
7-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-2-oxo-5-piperidin-3-yl-1H-1,8-naphthyridine-3-carbonitrile;hydrochloride
CID 162335678
2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-(cyclopropylmethoxy)phenol
CID 135481185
2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-(cyclopropylmethoxy)phenol;hydrochloride
CID 142686934
2-[6-amino-5-(hydroxymethyl)-4-piperidin-3-yl-2-pyridinyl]-3-(2,2-dimethylpropoxy)phenol
CID 135453352
2-amino-6-[[2-(cyclopropylmethoxy)-6-hydroxyphenyl]methyl]-4-piperidin-3-ylpyridine-3-carboxamide
CID 91403098
2-amino-6-[2-(cyclohexylmethoxy)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrile
CID 136916075
3-[(4-tert-butylphenyl)methoxy]-2-(5,6-diamino-4-piperidin-3-yl-2-pyridinyl)phenol
CID 136634040
2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-ethoxyphenol;dihydrochloride
CID 135618266
2-amino-6-[2-hydroxy-6-(naphthalen-2-ylmethoxy)phenyl]-4-piperidin-3-ylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 160960323
2-amino-6-(2-hydroxy-6-phenylmethoxyphenyl)-4-piperidin-3-ylpyridine-3-carbaldehyde;hydrochloride
CID 135550596

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-7-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-2-oxo-5-piperidin-3-yl-1,4-dihydropyrido[2,3-d]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclohexyl-7-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-2-oxo-5-piperidin-3-yl-1,4-dihydropyrido[2,3-d]pyrimidine-3-carboxamide (CID 135469661) is N-cyclohexyl-7-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-2-oxo-5-piperidin-3-yl-1,4-dihydropyrido[2,3-d]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-7-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-2-oxo-5-piperidin-3-yl-1,4-dihydropyrido[2,3-d]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-7-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-2-oxo-5-piperidin-3-yl-1,4-dihydropyrido[2,3-d]pyrimidine-3-carboxamide is O=C1Nc2nc(-c3c(O)cccc3OCC3CC3)cc(C3CCCNC3)c2CN1C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-7-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-2-oxo-5-piperidin-3-yl-1,4-dihydropyrido[2,3-d]pyrimidine-3-carboxamide?
The InChIKey is PDWNQCVLGMHWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N5O4/c35-24-9-4-10-25(38-17-18-11-12-18)26(24)23-14-21(19-6-5-13-30-15-19)22-16-34(29(37)33-27(22)32-23)28(36)31-20-7-2-1-3-8-20/h4,9-10,14,18-20,30,35H,1-3,5-8,11-13,15-17H2,(H,31,36)(H,32,33,37).
What are the key properties of N-cyclohexyl-7-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-2-oxo-5-piperidin-3-yl-1,4-dihydropyrido[2,3-d]pyrimidine-3-carboxamide?
N-cyclohexyl-7-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-2-oxo-5-piperidin-3-yl-1,4-dihydropyrido[2,3-d]pyrimidine-3-carboxamide has a molecular weight of 519.65 g/mol, XLogP of 5.10, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-7-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-2-oxo-5-piperidin-3-yl-1,4-dihydropyrido[2,3-d]pyrimidine-3-carboxamide is sourced from PubChem (CID 135469661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).