N-[6-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methoxybenzamide

C26H30N4O4 — CID 42857435

IUPACN-[6-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(N3CCN(Cc4ccc(OC)cc4OC)CC3)nc2)c1
InChIInChI=1S/C26H30N4O4/c1-32-22-6-4-5-19(15-22)26(31)28-21-8-10-25(27-17-21)30-13-11-29(12-14-30)18-20-7-9-23(33-2)16-24(20)34-3/h4-10,15-17H,11-14,18H2,1-3H3,(H,28,31)
InChIKeyYKYRIMFRSVZFRC-UHFFFAOYSA-N
MW462.55 g/mol
LogP3.68
Rot. Bonds8

About N-[6-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methoxybenzamide

N-[6-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methoxybenzamide (PubChem CID 42857435) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is N-[6-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[6-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methoxybenzamide
PubChem CID42857435
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC NameN-[6-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(N3CCN(Cc4ccc(OC)cc4OC)CC3)nc2)c1
InChIInChI=1S/C26H30N4O4/c1-32-22-6-4-5-19(15-22)26(31)28-21-8-10-25(27-17-21)30-13-11-29(12-14-30)18-20-7-9-23(33-2)16-24(20)34-3/h4-10,15-17H,11-14,18H2,1-3H3,(H,28,31)
InChIKeyYKYRIMFRSVZFRC-UHFFFAOYSA-N
XLogP3.68
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-3-methoxybenzamide
CID 42857434
3-methoxy-N-[6-[4-(2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 46053043
N-[6-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3-methoxybenzamide
CID 46053044
N-[6-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 46041970
N-[6-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 42857423
N-[6-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-2-(4-methoxyphenyl)acetamide
CID 42857454
N-[6-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 42857590
N-[6-(4-benzyl-1,4-diazepan-1-yl)-3-pyridinyl]-4-methoxybenzamide
CID 42857527
4-tert-butyl-N-[6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide
CID 42850230
3-methyl-N-[6-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide
CID 46157259
4-(trifluoromethyl)-N-[6-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide
CID 42857329
3,5-dimethoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 17461264

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methoxybenzamide?
The IUPAC name of N-[6-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methoxybenzamide (CID 42857435) is N-[6-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methoxybenzamide.
What is the SMILES notation for N-[6-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methoxybenzamide?
The canonical SMILES for N-[6-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccc(N3CCN(Cc4ccc(OC)cc4OC)CC3)nc2)c1.
What is the InChIKey of N-[6-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methoxybenzamide?
The InChIKey is YKYRIMFRSVZFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-32-22-6-4-5-19(15-22)26(31)28-21-8-10-25(27-17-21)30-13-11-29(12-14-30)18-20-7-9-23(33-2)16-24(20)34-3/h4-10,15-17H,11-14,18H2,1-3H3,(H,28,31).
What are the key properties of N-[6-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methoxybenzamide?
N-[6-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methoxybenzamide has a molecular weight of 462.55 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methoxybenzamide is sourced from PubChem (CID 42857435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).