N-[3-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-3-oxopropyl]naphthalene-2-carboxamide

C27H25N3O4 — CID 38629448

IUPACN-[3-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-3-oxopropyl]naphthalene-2-carboxamide
SMILESCOc1ccc(NC(=O)CCNC(=O)c2ccc3ccccc3c2)cc1OCc1ccncc1
InChIInChI=1S/C27H25N3O4/c1-33-24-9-8-23(17-25(24)34-18-19-10-13-28-14-11-19)30-26(31)12-15-29-27(32)22-7-6-20-4-2-3-5-21(20)16-22/h2-11,13-14,16-17H,12,15,18H2,1H3,(H,29,32)(H,30,31)
InChIKeyVNQWRZXBDFFFTM-UHFFFAOYSA-N
MW455.51 g/mol
LogP4.58
Rot. Bonds9

About N-[3-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-3-oxopropyl]naphthalene-2-carboxamide

N-[3-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-3-oxopropyl]naphthalene-2-carboxamide (PubChem CID 38629448) has the molecular formula C27H25N3O4 and a molecular weight of 455.51 g/mol. Its IUPAC name is N-[3-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-3-oxopropyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-3-oxopropyl]naphthalene-2-carboxamide
PubChem CID38629448
Molecular FormulaC27H25N3O4
Molecular Weight455.51 g/mol
Exact Mass455.18
IUPAC NameN-[3-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-3-oxopropyl]naphthalene-2-carboxamide
SMILESCOc1ccc(NC(=O)CCNC(=O)c2ccc3ccccc3c2)cc1OCc1ccncc1
InChIInChI=1S/C27H25N3O4/c1-33-24-9-8-23(17-25(24)34-18-19-10-13-28-14-11-19)30-26(31)12-15-29-27(32)22-7-6-20-4-2-3-5-21(20)16-22/h2-11,13-14,16-17H,12,15,18H2,1H3,(H,29,32)(H,30,31)
InChIKeyVNQWRZXBDFFFTM-UHFFFAOYSA-N
XLogP4.58
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-2-oxoethyl]-4-phenylbenzamide
CID 38629097
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-4-(methylamino)butanamide
CID 119848510
4-acetamido-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
CID 43068273
3-[(2-chlorophenyl)sulfonylamino]-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]propanamide
CID 55682810
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-1-benzofuran-2-carboxamide
CID 43068293
N-[2-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-2-oxoethyl]furan-3-carboxamide
CID 38629741
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-propoxybenzamide
CID 55778341
N-[3-[4-(methylcarbamoylamino)anilino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55596125
2-(2,4-dimethoxyphenyl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]acetamide
CID 43068317
4-(1,3-benzothiazol-2-yl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]butanamide
CID 46427440
3-(dimethylamino)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
CID 46427160
2-(4-chlorophenyl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]acetamide
CID 38628569

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-3-oxopropyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-3-oxopropyl]naphthalene-2-carboxamide (CID 38629448) is N-[3-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-3-oxopropyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-3-oxopropyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-3-oxopropyl]naphthalene-2-carboxamide is COc1ccc(NC(=O)CCNC(=O)c2ccc3ccccc3c2)cc1OCc1ccncc1.
What is the InChIKey of N-[3-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-3-oxopropyl]naphthalene-2-carboxamide?
The InChIKey is VNQWRZXBDFFFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O4/c1-33-24-9-8-23(17-25(24)34-18-19-10-13-28-14-11-19)30-26(31)12-15-29-27(32)22-7-6-20-4-2-3-5-21(20)16-22/h2-11,13-14,16-17H,12,15,18H2,1H3,(H,29,32)(H,30,31).
What are the key properties of N-[3-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-3-oxopropyl]naphthalene-2-carboxamide?
N-[3-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-3-oxopropyl]naphthalene-2-carboxamide has a molecular weight of 455.51 g/mol, XLogP of 4.58, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-3-oxopropyl]naphthalene-2-carboxamide is sourced from PubChem (CID 38629448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).