N-[3-[2-(1,4-diazepan-1-ylmethyl)-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]phenyl]pyridine-2-carboxamide

C26H27N5O3 — CID 86299402

IUPACN-[3-[2-(1,4-diazepan-1-ylmethyl)-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]phenyl]pyridine-2-carboxamide
SMILESCn1cc(-c2cccc(NC(=O)c3ccccn3)c2)c2oc(CN3CCCNCC3)cc2c1=O
InChIInChI=1S/C26H27N5O3/c1-30-17-22(18-6-4-7-19(14-18)29-25(32)23-8-2-3-10-28-23)24-21(26(30)33)15-20(34-24)16-31-12-5-9-27-11-13-31/h2-4,6-8,10,14-15,17,27H,5,9,11-13,16H2,1H3,(H,29,32)
InChIKeyYRQQWYMPNSIIKV-UHFFFAOYSA-N
MW457.53 g/mol
LogP3.24
Rot. Bonds5

About N-[3-[2-(1,4-diazepan-1-ylmethyl)-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]phenyl]pyridine-2-carboxamide

N-[3-[2-(1,4-diazepan-1-ylmethyl)-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]phenyl]pyridine-2-carboxamide (PubChem CID 86299402) has the molecular formula C26H27N5O3 and a molecular weight of 457.53 g/mol. Its IUPAC name is N-[3-[2-(1,4-diazepan-1-ylmethyl)-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(1,4-diazepan-1-ylmethyl)-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]phenyl]pyridine-2-carboxamide
PubChem CID86299402
Molecular FormulaC26H27N5O3
Molecular Weight457.53 g/mol
Exact Mass457.21
IUPAC NameN-[3-[2-(1,4-diazepan-1-ylmethyl)-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]phenyl]pyridine-2-carboxamide
SMILESCn1cc(-c2cccc(NC(=O)c3ccccn3)c2)c2oc(CN3CCCNCC3)cc2c1=O
InChIInChI=1S/C26H27N5O3/c1-30-17-22(18-6-4-7-19(14-18)29-25(32)23-8-2-3-10-28-23)24-21(26(30)33)15-20(34-24)16-31-12-5-9-27-11-13-31/h2-4,6-8,10,14-15,17,27H,5,9,11-13,16H2,1H3,(H,29,32)
InChIKeyYRQQWYMPNSIIKV-UHFFFAOYSA-N
XLogP3.24
TPSA92.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-[2-(1,4-diazepan-1-ylmethyl)-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]phenyl]pyridine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[4-[5-methyl-4-oxo-2-[(3-oxo-1,4-diazepan-1-yl)methyl]furo[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide
CID 118662552
N-[4-[5-methyl-4-oxo-2-(pyrrolidin-1-ylmethyl)furo[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide
CID 118662597
N-[4-[2-[(4-ethyl-2-methylpiperazin-1-yl)methyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide
CID 86299478
N-[4-[[3-(piperidin-1-ylmethyl)phenyl]carbamoyl]phenyl]pyridine-2-carboxamide
CID 71893305
N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
CID 38314118
N-[3-(1-methyltetrazol-5-yl)phenyl]-5-(piperidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
CID 155950743
N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-2-carboxamide
CID 136525639
N-(3-chlorophenyl)-3-(1,4-diazepan-1-yl)propanamide
CID 43340911
4-[[7-(3-acetamidophenyl)-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]methyl]-N-hydroxy-N-methylpiperazin-1-amine oxide
CID 126660715
2-(1,4-diazepan-1-ylmethyl)-7-(4-ethyl-3-methoxyphenyl)-5-methylthieno[3,2-c]pyridin-4-one
CID 126660611
N-[3-(1H-imidazol-2-yl)phenyl]pyridine-2-carboxamide
CID 110744210
5-(1,4-diazepan-1-ylmethyl)-2-methylfuran-3-carbohydrazide
CID 63577670

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(1,4-diazepan-1-ylmethyl)-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-[2-(1,4-diazepan-1-ylmethyl)-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]phenyl]pyridine-2-carboxamide (CID 86299402) is N-[3-[2-(1,4-diazepan-1-ylmethyl)-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[2-(1,4-diazepan-1-ylmethyl)-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-[2-(1,4-diazepan-1-ylmethyl)-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]phenyl]pyridine-2-carboxamide is Cn1cc(-c2cccc(NC(=O)c3ccccn3)c2)c2oc(CN3CCCNCC3)cc2c1=O.
What is the InChIKey of N-[3-[2-(1,4-diazepan-1-ylmethyl)-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]phenyl]pyridine-2-carboxamide?
The InChIKey is YRQQWYMPNSIIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3/c1-30-17-22(18-6-4-7-19(14-18)29-25(32)23-8-2-3-10-28-23)24-21(26(30)33)15-20(34-24)16-31-12-5-9-27-11-13-31/h2-4,6-8,10,14-15,17,27H,5,9,11-13,16H2,1H3,(H,29,32).
What are the key properties of N-[3-[2-(1,4-diazepan-1-ylmethyl)-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]phenyl]pyridine-2-carboxamide?
N-[3-[2-(1,4-diazepan-1-ylmethyl)-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]phenyl]pyridine-2-carboxamide has a molecular weight of 457.53 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(1,4-diazepan-1-ylmethyl)-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 86299402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).