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

C31H34N4O4 — CID 145351744

IUPACN-[4-(5-formylnaphthalen-2-yl)oxy-2-pyridinyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide;N-methylmethanamine
SMILESCNC.O=Cc1cccc2cc(Oc3ccnc(NC(=O)c4ccc(OCCN5CCCC5)cc4)c3)ccc12
InChIInChI=1S/C29H27N3O4.C2H7N/c33-20-23-5-3-4-22-18-25(10-11-27(22)23)36-26-12-13-30-28(19-26)31-29(34)21-6-8-24(9-7-21)35-17-16-32-14-1-2-15-32;1-3-2/h3-13,18-20H,1-2,14-17H2,(H,30,31,34);3H,1-2H3
InChIKeyKKQFLDAYEAGAPC-UHFFFAOYSA-N
MW526.64 g/mol
LogP5.40
Rot. Bonds9

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

N-[4-(5-formylnaphthalen-2-yl)oxy-2-pyridinyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide;N-methylmethanamine (PubChem CID 145351744) has the molecular formula C31H34N4O4 and a molecular weight of 526.64 g/mol. Its IUPAC name is N-[4-(5-formylnaphthalen-2-yl)oxy-2-pyridinyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide;N-methylmethanamine.

Molecular Properties

Compound NameN-[4-(5-formylnaphthalen-2-yl)oxy-2-pyridinyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide;N-methylmethanamine
PubChem CID145351744
Molecular FormulaC31H34N4O4
Molecular Weight526.64 g/mol
Exact Mass526.26
IUPAC NameN-[4-(5-formylnaphthalen-2-yl)oxy-2-pyridinyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide;N-methylmethanamine
SMILESCNC.O=Cc1cccc2cc(Oc3ccnc(NC(=O)c4ccc(OCCN5CCCC5)cc4)c3)ccc12
InChIInChI=1S/C29H27N3O4.C2H7N/c33-20-23-5-3-4-22-18-25(10-11-27(22)23)36-26-12-13-30-28(19-26)31-29(34)21-6-8-24(9-7-21)35-17-16-32-14-1-2-15-32;1-3-2/h3-13,18-20H,1-2,14-17H2,(H,30,31,34);3H,1-2H3
InChIKeyKKQFLDAYEAGAPC-UHFFFAOYSA-N
XLogP5.40
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.64
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(5-formylnaphthalen-2-yl)oxy-2-pyridinyl]-4-(3-methylpiperazin-1-yl)benzamide;N-methylmethanamine
CID 145351775
6-[[2-(methylamino)-4-pyridinyl]oxy]naphthalene-1-carbaldehyde
CID 145351787
2-pyrrolidin-1-ylethyl N-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]carbamate
CID 66721690
N-methyl-6-[[2-[[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide
CID 149020965
N-methyl-6-[[2-[[4-(prop-2-enoylamino)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide
CID 145351737
5-[(E)-2-(4-hydroxyphenyl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]ethenyl]naphthalen-2-ol
CID 11454084
4-(2-pyrrolidin-1-ylethoxy)benzohydrazide
CID 63570602
tert-butyl 4-[4-[[4-[5-[hydroxy(methylamino)methyl]naphthalen-2-yl]oxy-2-pyridinyl]carbamoyl]phenyl]piperidine-1-carboxylate
CID 155200202
2-morpholin-4-ylethyl N-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]carbamate
CID 69440674
N-[2-amino-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]phenyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 70206920
4-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]benzoic acid
CID 18678227
2-(3,5-dimethylpiperazin-1-yl)-N-[4-[5-(methylcarbamoyl)naphthalen-2-yl]oxy-2-pyridinyl]pyrimidine-5-carboxamide
CID 155200241

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-formylnaphthalen-2-yl)oxy-2-pyridinyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide;N-methylmethanamine?
The IUPAC name of N-[4-(5-formylnaphthalen-2-yl)oxy-2-pyridinyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide;N-methylmethanamine (CID 145351744) is N-[4-(5-formylnaphthalen-2-yl)oxy-2-pyridinyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide;N-methylmethanamine.
What is the SMILES notation for N-[4-(5-formylnaphthalen-2-yl)oxy-2-pyridinyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide;N-methylmethanamine?
The canonical SMILES for N-[4-(5-formylnaphthalen-2-yl)oxy-2-pyridinyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide;N-methylmethanamine is CNC.O=Cc1cccc2cc(Oc3ccnc(NC(=O)c4ccc(OCCN5CCCC5)cc4)c3)ccc12.
What is the InChIKey of N-[4-(5-formylnaphthalen-2-yl)oxy-2-pyridinyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide;N-methylmethanamine?
The InChIKey is KKQFLDAYEAGAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O4.C2H7N/c33-20-23-5-3-4-22-18-25(10-11-27(22)23)36-26-12-13-30-28(19-26)31-29(34)21-6-8-24(9-7-21)35-17-16-32-14-1-2-15-32;1-3-2/h3-13,18-20H,1-2,14-17H2,(H,30,31,34);3H,1-2H3.
What are the key properties of N-[4-(5-formylnaphthalen-2-yl)oxy-2-pyridinyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide;N-methylmethanamine?
N-[4-(5-formylnaphthalen-2-yl)oxy-2-pyridinyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide;N-methylmethanamine has a molecular weight of 526.64 g/mol, XLogP of 5.40, 9 rotatable bonds, 2 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-(2-pyrrolidin-1-ylethoxy)benzamide;N-methylmethanamine is sourced from PubChem (CID 145351744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).