N-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]naphthalene-2-carboxamide

C25H29N5O2 — CID 22729666

IUPACN-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]naphthalene-2-carboxamide
SMILESCCOCc1nc2c(N)nc(C)cc2n1CCCCNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C25H29N5O2/c1-3-32-16-22-29-23-21(14-17(2)28-24(23)26)30(22)13-7-6-12-27-25(31)20-11-10-18-8-4-5-9-19(18)15-20/h4-5,8-11,14-15H,3,6-7,12-13,16H2,1-2H3,(H2,26,28)(H,27,31)
InChIKeyVLBGZZBIYACMQH-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.22
Rot. Bonds9

About N-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]naphthalene-2-carboxamide

N-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]naphthalene-2-carboxamide (PubChem CID 22729666) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]naphthalene-2-carboxamide
PubChem CID22729666
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC NameN-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]naphthalene-2-carboxamide
SMILESCCOCc1nc2c(N)nc(C)cc2n1CCCCNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C25H29N5O2/c1-3-32-16-22-29-23-21(14-17(2)28-24(23)26)30(22)13-7-6-12-27-25(31)20-11-10-18-8-4-5-9-19(18)15-20/h4-5,8-11,14-15H,3,6-7,12-13,16H2,1-2H3,(H2,26,28)(H,27,31)
InChIKeyVLBGZZBIYACMQH-UHFFFAOYSA-N
XLogP4.22
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]naphthalene-2-carboxamide?
The IUPAC name of N-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]naphthalene-2-carboxamide (CID 22729666) is N-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]naphthalene-2-carboxamide is CCOCc1nc2c(N)nc(C)cc2n1CCCCNC(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]naphthalene-2-carboxamide?
The InChIKey is VLBGZZBIYACMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-3-32-16-22-29-23-21(14-17(2)28-24(23)26)30(22)13-7-6-12-27-25(31)20-11-10-18-8-4-5-9-19(18)15-20/h4-5,8-11,14-15H,3,6-7,12-13,16H2,1-2H3,(H2,26,28)(H,27,31).
What are the key properties of N-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]naphthalene-2-carboxamide?
N-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]naphthalene-2-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 4.22, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]naphthalene-2-carboxamide is sourced from PubChem (CID 22729666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).