N-[3-oxo-3-[(2-propan-2-yloxy-3-pyridinyl)methylamino]propyl]naphthalene-2-carboxamide

C23H25N3O3 — CID 55780723

IUPACN-[3-oxo-3-[(2-propan-2-yloxy-3-pyridinyl)methylamino]propyl]naphthalene-2-carboxamide
SMILESCC(C)Oc1ncccc1CNC(=O)CCNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C23H25N3O3/c1-16(2)29-23-20(8-5-12-25-23)15-26-21(27)11-13-24-22(28)19-10-9-17-6-3-4-7-18(17)14-19/h3-10,12,14,16H,11,13,15H2,1-2H3,(H,24,28)(H,26,27)
InChIKeySQYSFDVFHNBWPK-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.46
Rot. Bonds8

About N-[3-oxo-3-[(2-propan-2-yloxy-3-pyridinyl)methylamino]propyl]naphthalene-2-carboxamide

N-[3-oxo-3-[(2-propan-2-yloxy-3-pyridinyl)methylamino]propyl]naphthalene-2-carboxamide (PubChem CID 55780723) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[3-oxo-3-[(2-propan-2-yloxy-3-pyridinyl)methylamino]propyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-[(2-propan-2-yloxy-3-pyridinyl)methylamino]propyl]naphthalene-2-carboxamide
PubChem CID55780723
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-[3-oxo-3-[(2-propan-2-yloxy-3-pyridinyl)methylamino]propyl]naphthalene-2-carboxamide
SMILESCC(C)Oc1ncccc1CNC(=O)CCNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C23H25N3O3/c1-16(2)29-23-20(8-5-12-25-23)15-26-21(27)11-13-24-22(28)19-10-9-17-6-3-4-7-18(17)14-19/h3-10,12,14,16H,11,13,15H2,1-2H3,(H,24,28)(H,26,27)
InChIKeySQYSFDVFHNBWPK-UHFFFAOYSA-N
XLogP3.46
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-hydroxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 63860474
3-cyano-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzamide
CID 51082279
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide
CID 60975328
N-[3-(methylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 47161001
2-(cyclopropylmethylamino)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide
CID 61375381
N-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 49353764
N-[3-(1-methoxypropan-2-ylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 46573507
N-[3-(2-aminoethylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 119384874
N-[3-[2-(2-fluorophenyl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55568477
1-amino-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 65464946
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propanamide
CID 55780563
3-methyl-2-[3-(naphthalene-2-carbonylamino)propanoylamino]butanoic acid
CID 119169798

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[(2-propan-2-yloxy-3-pyridinyl)methylamino]propyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-oxo-3-[(2-propan-2-yloxy-3-pyridinyl)methylamino]propyl]naphthalene-2-carboxamide (CID 55780723) is N-[3-oxo-3-[(2-propan-2-yloxy-3-pyridinyl)methylamino]propyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-oxo-3-[(2-propan-2-yloxy-3-pyridinyl)methylamino]propyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-oxo-3-[(2-propan-2-yloxy-3-pyridinyl)methylamino]propyl]naphthalene-2-carboxamide is CC(C)Oc1ncccc1CNC(=O)CCNC(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[3-oxo-3-[(2-propan-2-yloxy-3-pyridinyl)methylamino]propyl]naphthalene-2-carboxamide?
The InChIKey is SQYSFDVFHNBWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16(2)29-23-20(8-5-12-25-23)15-26-21(27)11-13-24-22(28)19-10-9-17-6-3-4-7-18(17)14-19/h3-10,12,14,16H,11,13,15H2,1-2H3,(H,24,28)(H,26,27).
What are the key properties of N-[3-oxo-3-[(2-propan-2-yloxy-3-pyridinyl)methylamino]propyl]naphthalene-2-carboxamide?
N-[3-oxo-3-[(2-propan-2-yloxy-3-pyridinyl)methylamino]propyl]naphthalene-2-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 3.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[(2-propan-2-yloxy-3-pyridinyl)methylamino]propyl]naphthalene-2-carboxamide is sourced from PubChem (CID 55780723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).