N-[5-chloro-2-[3-[2-(4-hydroxypiperidin-1-yl)propyl]-4-methoxy-4H-pyrimidin-6-yl]phenyl]-2,2-dimethylpropanamide

C24H35ClN4O3 — CID 130182500

IUPACN-[5-chloro-2-[3-[2-(4-hydroxypiperidin-1-yl)propyl]-4-methoxy-4H-pyrimidin-6-yl]phenyl]-2,2-dimethylpropanamide
SMILESCOC1C=C(c2ccc(Cl)cc2NC(=O)C(C)(C)C)N=CN1CC(C)N1CCC(O)CC1
InChIInChI=1S/C24H35ClN4O3/c1-16(28-10-8-18(30)9-11-28)14-29-15-26-20(13-22(29)32-5)19-7-6-17(25)12-21(19)27-23(31)24(2,3)4/h6-7,12-13,15-16,18,22,30H,8-11,14H2,1-5H3,(H,27,31)
InChIKeyZNXVFVWDJMXFFT-UHFFFAOYSA-N
MW463.02 g/mol
LogP3.83
Rot. Bonds6

About N-[5-chloro-2-[3-[2-(4-hydroxypiperidin-1-yl)propyl]-4-methoxy-4H-pyrimidin-6-yl]phenyl]-2,2-dimethylpropanamide

N-[5-chloro-2-[3-[2-(4-hydroxypiperidin-1-yl)propyl]-4-methoxy-4H-pyrimidin-6-yl]phenyl]-2,2-dimethylpropanamide (PubChem CID 130182500) has the molecular formula C24H35ClN4O3 and a molecular weight of 463.02 g/mol. Its IUPAC name is N-[5-chloro-2-[3-[2-(4-hydroxypiperidin-1-yl)propyl]-4-methoxy-4H-pyrimidin-6-yl]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-chloro-2-[3-[2-(4-hydroxypiperidin-1-yl)propyl]-4-methoxy-4H-pyrimidin-6-yl]phenyl]-2,2-dimethylpropanamide
PubChem CID130182500
Molecular FormulaC24H35ClN4O3
Molecular Weight463.02 g/mol
Exact Mass462.24
IUPAC NameN-[5-chloro-2-[3-[2-(4-hydroxypiperidin-1-yl)propyl]-4-methoxy-4H-pyrimidin-6-yl]phenyl]-2,2-dimethylpropanamide
SMILESCOC1C=C(c2ccc(Cl)cc2NC(=O)C(C)(C)C)N=CN1CC(C)N1CCC(O)CC1
InChIInChI=1S/C24H35ClN4O3/c1-16(28-10-8-18(30)9-11-28)14-29-15-26-20(13-22(29)32-5)19-7-6-17(25)12-21(19)27-23(31)24(2,3)4/h6-7,12-13,15-16,18,22,30H,8-11,14H2,1-5H3,(H,27,31)
InChIKeyZNXVFVWDJMXFFT-UHFFFAOYSA-N
XLogP3.83
TPSA77.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.02
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-chloro-2-[1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-2-methyl-6-oxopyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide
CID 129198172
N-(2,5-dichlorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 110899247
(3R)-N-(5-chloro-2-methoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111430962
[4-chloro-2-(2,2-dimethylpropanoylamino)phenyl]boronic acid
CID 154729958
N-(5-chloro-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide
CID 60842124
N-[4-chloro-2-(1-methylpyrazole-3-carbonyl)phenyl]-2,2-dimethylpropanamide
CID 59788580
3-(5-chloro-2-methoxyanilino)-1-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]propan-1-one
CID 99779193
N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2,2-dimethylpropanamide
CID 17066065
3-(5-chloro-2-methoxyanilino)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 111561086
(2S,4S)-N-(5-chloro-2-methoxyphenyl)-2-ethyl-4-hydroxypiperidine-1-carboxamide
CID 137334290
methyl (2R)-2-[4-[(5-chloro-2-hydroxyphenyl)carbamoyl]piperidin-1-yl]propanoate
CID 124594809
N-(2-amino-5-chlorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 43246069

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[3-[2-(4-hydroxypiperidin-1-yl)propyl]-4-methoxy-4H-pyrimidin-6-yl]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-chloro-2-[3-[2-(4-hydroxypiperidin-1-yl)propyl]-4-methoxy-4H-pyrimidin-6-yl]phenyl]-2,2-dimethylpropanamide (CID 130182500) is N-[5-chloro-2-[3-[2-(4-hydroxypiperidin-1-yl)propyl]-4-methoxy-4H-pyrimidin-6-yl]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-chloro-2-[3-[2-(4-hydroxypiperidin-1-yl)propyl]-4-methoxy-4H-pyrimidin-6-yl]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-chloro-2-[3-[2-(4-hydroxypiperidin-1-yl)propyl]-4-methoxy-4H-pyrimidin-6-yl]phenyl]-2,2-dimethylpropanamide is COC1C=C(c2ccc(Cl)cc2NC(=O)C(C)(C)C)N=CN1CC(C)N1CCC(O)CC1.
What is the InChIKey of N-[5-chloro-2-[3-[2-(4-hydroxypiperidin-1-yl)propyl]-4-methoxy-4H-pyrimidin-6-yl]phenyl]-2,2-dimethylpropanamide?
The InChIKey is ZNXVFVWDJMXFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35ClN4O3/c1-16(28-10-8-18(30)9-11-28)14-29-15-26-20(13-22(29)32-5)19-7-6-17(25)12-21(19)27-23(31)24(2,3)4/h6-7,12-13,15-16,18,22,30H,8-11,14H2,1-5H3,(H,27,31).
What are the key properties of N-[5-chloro-2-[3-[2-(4-hydroxypiperidin-1-yl)propyl]-4-methoxy-4H-pyrimidin-6-yl]phenyl]-2,2-dimethylpropanamide?
N-[5-chloro-2-[3-[2-(4-hydroxypiperidin-1-yl)propyl]-4-methoxy-4H-pyrimidin-6-yl]phenyl]-2,2-dimethylpropanamide has a molecular weight of 463.02 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-[3-[2-(4-hydroxypiperidin-1-yl)propyl]-4-methoxy-4H-pyrimidin-6-yl]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 130182500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).