N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide

C26H29N5O3 — CID 58989819

IUPACN-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide
SMILESCN1CCN(C(=O)c2ccc(CONC(=O)c3ccccc3NCc3ccncc3)cc2)CC1
InChIInChI=1S/C26H29N5O3/c1-30-14-16-31(17-15-30)26(33)22-8-6-21(7-9-22)19-34-29-25(32)23-4-2-3-5-24(23)28-18-20-10-12-27-13-11-20/h2-13,28H,14-19H2,1H3,(H,29,32)
InChIKeySOPVQEMZFVUADE-UHFFFAOYSA-N
MW459.55 g/mol
LogP2.94
Rot. Bonds8

About N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide

N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide (PubChem CID 58989819) has the molecular formula C26H29N5O3 and a molecular weight of 459.55 g/mol. Its IUPAC name is N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide.

Molecular Properties

Compound NameN-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide
PubChem CID58989819
Molecular FormulaC26H29N5O3
Molecular Weight459.55 g/mol
Exact Mass459.23
IUPAC NameN-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide
SMILESCN1CCN(C(=O)c2ccc(CONC(=O)c3ccccc3NCc3ccncc3)cc2)CC1
InChIInChI=1S/C26H29N5O3/c1-30-14-16-31(17-15-30)26(33)22-8-6-21(7-9-22)19-34-29-25(32)23-4-2-3-5-24(23)28-18-20-10-12-27-13-11-20/h2-13,28H,14-19H2,1H3,(H,29,32)
InChIKeySOPVQEMZFVUADE-UHFFFAOYSA-N
XLogP2.94
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methylphenyl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 11244953
N-[[4-(1-morpholin-4-ylethenyl)phenyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 88918465
N-[[4-(1,1-difluoroethyl)phenyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 143056719
N-[(4-pentoxyphenyl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 58989953
2-(pyridin-4-ylmethylamino)-N-(1,3-thiazol-4-ylmethoxy)benzamide
CID 11739316
N-(3-phenylmethoxypropoxy)-2-(pyridin-4-ylmethylamino)benzamide
CID 87281885
N-phenylmethoxy-2-(pyridin-3-ylmethylamino)benzamide
CID 87281732
N-[(1-benzyltriazol-4-yl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 87281910
2-(pyridin-4-ylmethylamino)-N-[[2-(trifluoromethylsulfanyl)phenyl]methoxy]benzamide
CID 58989986
N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 11151978
N-pent-2-en-3-yloxy-2-(pyridin-4-ylmethylamino)benzamide
CID 91322862
(4-methylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755354

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide?
The IUPAC name of N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide (CID 58989819) is N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide.
What is the SMILES notation for N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide?
The canonical SMILES for N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide is CN1CCN(C(=O)c2ccc(CONC(=O)c3ccccc3NCc3ccncc3)cc2)CC1.
What is the InChIKey of N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide?
The InChIKey is SOPVQEMZFVUADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O3/c1-30-14-16-31(17-15-30)26(33)22-8-6-21(7-9-22)19-34-29-25(32)23-4-2-3-5-24(23)28-18-20-10-12-27-13-11-20/h2-13,28H,14-19H2,1H3,(H,29,32).
What are the key properties of N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide?
N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide has a molecular weight of 459.55 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide is sourced from PubChem (CID 58989819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).