N-[4-(5-formylnaphthalen-2-yl)oxy-2-pyridinyl]-4-(3-methylpiperazin-1-yl)benzamide;N-methylmethanamine

C30H33N5O3 — CID 145351775

IUPACN-[4-(5-formylnaphthalen-2-yl)oxy-2-pyridinyl]-4-(3-methylpiperazin-1-yl)benzamide;N-methylmethanamine
SMILESCC1CN(c2ccc(C(=O)Nc3cc(Oc4ccc5c(C=O)cccc5c4)ccn3)cc2)CCN1.CNC
InChIInChI=1S/C28H26N4O3.C2H7N/c1-19-17-32(14-13-29-19)23-7-5-20(6-8-23)28(34)31-27-16-25(11-12-30-27)35-24-9-10-26-21(15-24)3-2-4-22(26)18-33;1-3-2/h2-12,15-16,18-19,29H,13-14,17H2,1H3,(H,30,31,34);3H,1-2H3
InChIKeyHTVOPYKXXUIYHP-UHFFFAOYSA-N
MW511.63 g/mol
LogP4.73
Rot. Bonds6

About N-[4-(5-formylnaphthalen-2-yl)oxy-2-pyridinyl]-4-(3-methylpiperazin-1-yl)benzamide;N-methylmethanamine

N-[4-(5-formylnaphthalen-2-yl)oxy-2-pyridinyl]-4-(3-methylpiperazin-1-yl)benzamide;N-methylmethanamine (PubChem CID 145351775) has the molecular formula C30H33N5O3 and a molecular weight of 511.63 g/mol. Its IUPAC name is N-[4-(5-formylnaphthalen-2-yl)oxy-2-pyridinyl]-4-(3-methylpiperazin-1-yl)benzamide;N-methylmethanamine.

Molecular Properties

Compound NameN-[4-(5-formylnaphthalen-2-yl)oxy-2-pyridinyl]-4-(3-methylpiperazin-1-yl)benzamide;N-methylmethanamine
PubChem CID145351775
Molecular FormulaC30H33N5O3
Molecular Weight511.63 g/mol
Exact Mass511.26
IUPAC NameN-[4-(5-formylnaphthalen-2-yl)oxy-2-pyridinyl]-4-(3-methylpiperazin-1-yl)benzamide;N-methylmethanamine
SMILESCC1CN(c2ccc(C(=O)Nc3cc(Oc4ccc5c(C=O)cccc5c4)ccn3)cc2)CCN1.CNC
InChIInChI=1S/C28H26N4O3.C2H7N/c1-19-17-32(14-13-29-19)23-7-5-20(6-8-23)28(34)31-27-16-25(11-12-30-27)35-24-9-10-26-21(15-24)3-2-4-22(26)18-33;1-3-2/h2-12,15-16,18-19,29H,13-14,17H2,1H3,(H,30,31,34);3H,1-2H3
InChIKeyHTVOPYKXXUIYHP-UHFFFAOYSA-N
XLogP4.73
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.63
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-formylnaphthalen-2-yl)oxy-2-pyridinyl]-4-(3-methylpiperazin-1-yl)benzamide;N-methylmethanamine?
The IUPAC name of N-[4-(5-formylnaphthalen-2-yl)oxy-2-pyridinyl]-4-(3-methylpiperazin-1-yl)benzamide;N-methylmethanamine (CID 145351775) is N-[4-(5-formylnaphthalen-2-yl)oxy-2-pyridinyl]-4-(3-methylpiperazin-1-yl)benzamide;N-methylmethanamine.
What is the SMILES notation for N-[4-(5-formylnaphthalen-2-yl)oxy-2-pyridinyl]-4-(3-methylpiperazin-1-yl)benzamide;N-methylmethanamine?
The canonical SMILES for N-[4-(5-formylnaphthalen-2-yl)oxy-2-pyridinyl]-4-(3-methylpiperazin-1-yl)benzamide;N-methylmethanamine is CC1CN(c2ccc(C(=O)Nc3cc(Oc4ccc5c(C=O)cccc5c4)ccn3)cc2)CCN1.CNC.
What is the InChIKey of N-[4-(5-formylnaphthalen-2-yl)oxy-2-pyridinyl]-4-(3-methylpiperazin-1-yl)benzamide;N-methylmethanamine?
The InChIKey is HTVOPYKXXUIYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O3.C2H7N/c1-19-17-32(14-13-29-19)23-7-5-20(6-8-23)28(34)31-27-16-25(11-12-30-27)35-24-9-10-26-21(15-24)3-2-4-22(26)18-33;1-3-2/h2-12,15-16,18-19,29H,13-14,17H2,1H3,(H,30,31,34);3H,1-2H3.
What are the key properties of N-[4-(5-formylnaphthalen-2-yl)oxy-2-pyridinyl]-4-(3-methylpiperazin-1-yl)benzamide;N-methylmethanamine?
N-[4-(5-formylnaphthalen-2-yl)oxy-2-pyridinyl]-4-(3-methylpiperazin-1-yl)benzamide;N-methylmethanamine has a molecular weight of 511.63 g/mol, XLogP of 4.73, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-formylnaphthalen-2-yl)oxy-2-pyridinyl]-4-(3-methylpiperazin-1-yl)benzamide;N-methylmethanamine is sourced from PubChem (CID 145351775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).