N-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]naphthalene-2-carboxamide

C23H25N3O3 — CID 49353764

IUPACN-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]naphthalene-2-carboxamide
SMILESCOc1c(C)cnc(CNC(=O)CCNC(=O)c2ccc3ccccc3c2)c1C
InChIInChI=1S/C23H25N3O3/c1-15-13-25-20(16(2)22(15)29-3)14-26-21(27)10-11-24-23(28)19-9-8-17-6-4-5-7-18(17)12-19/h4-9,12-13H,10-11,14H2,1-3H3,(H,24,28)(H,26,27)
InChIKeyASTQARCEENVTTQ-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.30
Rot. Bonds7

About N-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]naphthalene-2-carboxamide

N-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]naphthalene-2-carboxamide (PubChem CID 49353764) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]naphthalene-2-carboxamide
PubChem CID49353764
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]naphthalene-2-carboxamide
SMILESCOc1c(C)cnc(CNC(=O)CCNC(=O)c2ccc3ccccc3c2)c1C
InChIInChI=1S/C23H25N3O3/c1-15-13-25-20(16(2)22(15)29-3)14-26-21(27)10-11-24-23(28)19-9-8-17-6-4-5-7-18(17)12-19/h4-9,12-13H,10-11,14H2,1-3H3,(H,24,28)(H,26,27)
InChIKeyASTQARCEENVTTQ-UHFFFAOYSA-N
XLogP3.30
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(methylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 47161001
3-[[2-(2,2-difluorocyclopropyl)acetyl]amino]-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-methylbenzamide
CID 172667802
N-[3-(2-aminoethylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 119384874
N-[3-oxo-3-[(2-propan-2-yloxy-3-pyridinyl)methylamino]propyl]naphthalene-2-carboxamide
CID 55780723
N-[3-(1-methoxypropan-2-ylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 46573507
(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-naphthalen-2-ylcarbamic acid
CID 138557708
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methyl-5-methylsulfonylbenzamide
CID 49354766
N-[3-[(4-cyanophenyl)methylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 46481818
N-[2-[(6-methoxy-3-pyridinyl)methylamino]-2-oxoethyl]naphthalene-2-carboxamide
CID 17420778
N-[3-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-3-oxopropyl]naphthalene-2-carboxamide
CID 38629448
N-[(3,4,5-trimethoxyphenyl)methyl]naphthalene-2-carboxamide
CID 41261586
3-methyl-2-[3-(naphthalene-2-carbonylamino)propanoylamino]butanoic acid
CID 119169798

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]naphthalene-2-carboxamide (CID 49353764) is N-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]naphthalene-2-carboxamide is COc1c(C)cnc(CNC(=O)CCNC(=O)c2ccc3ccccc3c2)c1C.
What is the InChIKey of N-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]naphthalene-2-carboxamide?
The InChIKey is ASTQARCEENVTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-15-13-25-20(16(2)22(15)29-3)14-26-21(27)10-11-24-23(28)19-9-8-17-6-4-5-7-18(17)12-19/h4-9,12-13H,10-11,14H2,1-3H3,(H,24,28)(H,26,27).
What are the key properties of N-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]naphthalene-2-carboxamide?
N-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]naphthalene-2-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]naphthalene-2-carboxamide is sourced from PubChem (CID 49353764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).