N-[1-[6-(3-chloro-4-pyridinyl)-5-(4-methoxy-2-methylphenyl)pyrazin-2-yl]piperidin-4-yl]propanamide

C25H28ClN5O2 — CID 143312981

IUPACN-[1-[6-(3-chloro-4-pyridinyl)-5-(4-methoxy-2-methylphenyl)pyrazin-2-yl]piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(c2cnc(-c3ccc(OC)cc3C)c(-c3ccncc3Cl)n2)CC1
InChIInChI=1S/C25H28ClN5O2/c1-4-23(32)29-17-8-11-31(12-9-17)22-15-28-24(19-6-5-18(33-3)13-16(19)2)25(30-22)20-7-10-27-14-21(20)26/h5-7,10,13-15,17H,4,8-9,11-12H2,1-3H3,(H,29,32)
InChIKeyZDGQKSAHDRKGKL-UHFFFAOYSA-N
MW465.99 g/mol
LogP4.67
Rot. Bonds6

About N-[1-[6-(3-chloro-4-pyridinyl)-5-(4-methoxy-2-methylphenyl)pyrazin-2-yl]piperidin-4-yl]propanamide

N-[1-[6-(3-chloro-4-pyridinyl)-5-(4-methoxy-2-methylphenyl)pyrazin-2-yl]piperidin-4-yl]propanamide (PubChem CID 143312981) has the molecular formula C25H28ClN5O2 and a molecular weight of 465.99 g/mol. Its IUPAC name is N-[1-[6-(3-chloro-4-pyridinyl)-5-(4-methoxy-2-methylphenyl)pyrazin-2-yl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[1-[6-(3-chloro-4-pyridinyl)-5-(4-methoxy-2-methylphenyl)pyrazin-2-yl]piperidin-4-yl]propanamide
PubChem CID143312981
Molecular FormulaC25H28ClN5O2
Molecular Weight465.99 g/mol
Exact Mass465.19
IUPAC NameN-[1-[6-(3-chloro-4-pyridinyl)-5-(4-methoxy-2-methylphenyl)pyrazin-2-yl]piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(c2cnc(-c3ccc(OC)cc3C)c(-c3ccncc3Cl)n2)CC1
InChIInChI=1S/C25H28ClN5O2/c1-4-23(32)29-17-8-11-31(12-9-17)22-15-28-24(19-6-5-18(33-3)13-16(19)2)25(30-22)20-7-10-27-14-21(20)26/h5-7,10,13-15,17H,4,8-9,11-12H2,1-3H3,(H,29,32)
InChIKeyZDGQKSAHDRKGKL-UHFFFAOYSA-N
XLogP4.67
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.99
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[3-[(5-chloro-2-pyridinyl)oxy]phenyl]methyl]-N-pyridin-3-ylpiperidine-1-carboxamide
CID 127043920
N-[2-methoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]butanamide
CID 45271830
N-[(4-methoxyphenyl)methyl]-6-[4-(3-pyridin-4-yl-2-pyridinyl)piperazin-1-yl]hexanamide
CID 71061750
7-chloro-N-[2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
CID 117949229
5-chloro-4-N-[(4-methoxyphenyl)methyl]-2-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidine-2,4-diamine
CID 155665855
18-chloro-21-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-15-fluoro-3-propan-2-yl-10-oxa-1,4,22,25-tetrazapentacyclo[15.6.2.02,7.011,16.020,24]pentacosa-2(7),3,5,11(16),12,14,17,19,21,24-decaen-23-one
CID 156295569
1-[4-[2-[4-[(5-Chloro-2-pyridinyl)amino]phenoxy]-3-pyridinyl]-1-piperidinyl]ethanone
CID 59374303
3-amino-N-[4-(4-aminopiperidin-1-yl)-3-pyridinyl]-6-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 68187574
4-N-[5-chloro-4-[6-[(3-methoxyphenyl)methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 68405073
4-N-[5-chloro-4-[6-[[4-(difluoromethoxy)phenyl]methylamino]pyridin-2-yl]pyridin-2-yl]cyclohexane-1,4-diamine
CID 68405530
1-(6-(2-Chlorophenyl)-5-(4-ethoxyphenyl)pyrazin-2-yl)-4-(ethylamino)piperidine-4-carboxamide
CID 44576659
N-(2,4-Bis(1-methylethyl)-3-pyridinyl)-N'-(1-butyl-1,2-dihydro-4-(3-methoxyphenyl)-2-oxo-1,8-naphthyridin-3-yl)urea hydrochloride
CID 45263327

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(3-chloro-4-pyridinyl)-5-(4-methoxy-2-methylphenyl)pyrazin-2-yl]piperidin-4-yl]propanamide?
The IUPAC name of N-[1-[6-(3-chloro-4-pyridinyl)-5-(4-methoxy-2-methylphenyl)pyrazin-2-yl]piperidin-4-yl]propanamide (CID 143312981) is N-[1-[6-(3-chloro-4-pyridinyl)-5-(4-methoxy-2-methylphenyl)pyrazin-2-yl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-[1-[6-(3-chloro-4-pyridinyl)-5-(4-methoxy-2-methylphenyl)pyrazin-2-yl]piperidin-4-yl]propanamide?
The canonical SMILES for N-[1-[6-(3-chloro-4-pyridinyl)-5-(4-methoxy-2-methylphenyl)pyrazin-2-yl]piperidin-4-yl]propanamide is CCC(=O)NC1CCN(c2cnc(-c3ccc(OC)cc3C)c(-c3ccncc3Cl)n2)CC1.
What is the InChIKey of N-[1-[6-(3-chloro-4-pyridinyl)-5-(4-methoxy-2-methylphenyl)pyrazin-2-yl]piperidin-4-yl]propanamide?
The InChIKey is ZDGQKSAHDRKGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN5O2/c1-4-23(32)29-17-8-11-31(12-9-17)22-15-28-24(19-6-5-18(33-3)13-16(19)2)25(30-22)20-7-10-27-14-21(20)26/h5-7,10,13-15,17H,4,8-9,11-12H2,1-3H3,(H,29,32).
What are the key properties of N-[1-[6-(3-chloro-4-pyridinyl)-5-(4-methoxy-2-methylphenyl)pyrazin-2-yl]piperidin-4-yl]propanamide?
N-[1-[6-(3-chloro-4-pyridinyl)-5-(4-methoxy-2-methylphenyl)pyrazin-2-yl]piperidin-4-yl]propanamide has a molecular weight of 465.99 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(3-chloro-4-pyridinyl)-5-(4-methoxy-2-methylphenyl)pyrazin-2-yl]piperidin-4-yl]propanamide is sourced from PubChem (CID 143312981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).