N-methyl-1-(4-methyl-6-propan-2-ylquinazolin-2-yl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide

C27H31N7O2 — CID 42424299

IUPACN-methyl-1-(4-methyl-6-propan-2-ylquinazolin-2-yl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCc1nc(N2CCC(C(=O)N(C)Cc3nc(-c4ccncc4)no3)CC2)nc2ccc(C(C)C)cc12
InChIInChI=1S/C27H31N7O2/c1-17(2)21-5-6-23-22(15-21)18(3)29-27(30-23)34-13-9-20(10-14-34)26(35)33(4)16-24-31-25(32-36-24)19-7-11-28-12-8-19/h5-8,11-12,15,17,20H,9-10,13-14,16H2,1-4H3
InChIKeyLWYFPUVYTNAYBF-UHFFFAOYSA-N
MW485.59 g/mol
LogP4.38
Rot. Bonds6

About N-methyl-1-(4-methyl-6-propan-2-ylquinazolin-2-yl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide

N-methyl-1-(4-methyl-6-propan-2-ylquinazolin-2-yl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide (PubChem CID 42424299) has the molecular formula C27H31N7O2 and a molecular weight of 485.59 g/mol. Its IUPAC name is N-methyl-1-(4-methyl-6-propan-2-ylquinazolin-2-yl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(4-methyl-6-propan-2-ylquinazolin-2-yl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
PubChem CID42424299
Molecular FormulaC27H31N7O2
Molecular Weight485.59 g/mol
Exact Mass485.25
IUPAC NameN-methyl-1-(4-methyl-6-propan-2-ylquinazolin-2-yl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCc1nc(N2CCC(C(=O)N(C)Cc3nc(-c4ccncc4)no3)CC2)nc2ccc(C(C)C)cc12
InChIInChI=1S/C27H31N7O2/c1-17(2)21-5-6-23-22(15-21)18(3)29-27(30-23)34-13-9-20(10-14-34)26(35)33(4)16-24-31-25(32-36-24)19-7-11-28-12-8-19/h5-8,11-12,15,17,20H,9-10,13-14,16H2,1-4H3
InChIKeyLWYFPUVYTNAYBF-UHFFFAOYSA-N
XLogP4.38
TPSA101.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-methyl-1-(4-methyl-6-propan-2-ylquinazolin-2-yl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,1-N,3-N-trimethyl-3-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,3-dicarboxamide
CID 72842603
(4-hydroxypiperidin-1-yl)-[1-(4-methyl-6-propan-2-ylquinazolin-2-yl)piperidin-4-yl]methanone
CID 42213168
N-methyl-1-methylsulfonyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 50945556
methyl 2-[[1-(4,6-dimethylquinazolin-2-yl)piperidine-4-carbonyl]-methylamino]acetate
CID 118755153
1-methyl-3-[1-(1-methylpiperidin-4-yl)ethyl]-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 122566587
1-[2-[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol
CID 72915781
N-methyl-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 42322211
N-[(4-methoxyphenyl)methyl]-N-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38142390
(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 96579384
(2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-dimethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 97148008
3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-dimethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 70773837
1-(dimethylsulfamoyl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 132663033

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methyl-6-propan-2-ylquinazolin-2-yl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-methyl-1-(4-methyl-6-propan-2-ylquinazolin-2-yl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide (CID 42424299) is N-methyl-1-(4-methyl-6-propan-2-ylquinazolin-2-yl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-(4-methyl-6-propan-2-ylquinazolin-2-yl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-(4-methyl-6-propan-2-ylquinazolin-2-yl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide is Cc1nc(N2CCC(C(=O)N(C)Cc3nc(-c4ccncc4)no3)CC2)nc2ccc(C(C)C)cc12.
What is the InChIKey of N-methyl-1-(4-methyl-6-propan-2-ylquinazolin-2-yl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The InChIKey is LWYFPUVYTNAYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O2/c1-17(2)21-5-6-23-22(15-21)18(3)29-27(30-23)34-13-9-20(10-14-34)26(35)33(4)16-24-31-25(32-36-24)19-7-11-28-12-8-19/h5-8,11-12,15,17,20H,9-10,13-14,16H2,1-4H3.
What are the key properties of N-methyl-1-(4-methyl-6-propan-2-ylquinazolin-2-yl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
N-methyl-1-(4-methyl-6-propan-2-ylquinazolin-2-yl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide has a molecular weight of 485.59 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methyl-6-propan-2-ylquinazolin-2-yl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 42424299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).