N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide

C23H21N7O2 — CID 59490366

IUPACN-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide
SMILESO=C(NCc1ccccn1)c1cccc(NC(=O)N2CCc3c(cnc4[nH]ncc34)C2)c1
InChIInChI=1S/C23H21N7O2/c31-22(26-12-18-5-1-2-8-24-18)15-4-3-6-17(10-15)28-23(32)30-9-7-19-16(14-30)11-25-21-20(19)13-27-29-21/h1-6,8,10-11,13H,7,9,12,14H2,(H,26,31)(H,28,32)(H,25,27,29)
InChIKeyXEGCEQHXYIVKRG-UHFFFAOYSA-N
MW427.47 g/mol
LogP2.87
Rot. Bonds4

About N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide

N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide (PubChem CID 59490366) has the molecular formula C23H21N7O2 and a molecular weight of 427.47 g/mol. Its IUPAC name is N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide.

Molecular Properties

Compound NameN-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide
PubChem CID59490366
Molecular FormulaC23H21N7O2
Molecular Weight427.47 g/mol
Exact Mass427.18
IUPAC NameN-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide
SMILESO=C(NCc1ccccn1)c1cccc(NC(=O)N2CCc3c(cnc4[nH]ncc34)C2)c1
InChIInChI=1S/C23H21N7O2/c31-22(26-12-18-5-1-2-8-24-18)15-4-3-6-17(10-15)28-23(32)30-9-7-19-16(14-30)11-25-21-20(19)13-27-29-21/h1-6,8,10-11,13H,7,9,12,14H2,(H,26,31)(H,28,32)(H,25,27,29)
InChIKeyXEGCEQHXYIVKRG-UHFFFAOYSA-N
XLogP2.87
TPSA115.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 59490412
N-[3-[[(3R)-4-hydroxy-3-methylbutyl]carbamoyl]phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide
CID 59490831
N-[3-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide
CID 59490660
N-[3-[2-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide
CID 59490462
N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 46338632
3-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 13177095
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CID 166340166
3-(cyclopropylcarbamoylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 47041310
N-(pyridin-2-ylmethyl)-3-(pyrimidin-2-ylamino)benzamide
CID 31860864
3-(4-ethylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)benzamide
CID 109053648
(2S)-2-amino-2-phenyl-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone
CID 46836698
N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide?
The IUPAC name of N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide (CID 59490366) is N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide.
What is the SMILES notation for N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide?
The canonical SMILES for N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide is O=C(NCc1ccccn1)c1cccc(NC(=O)N2CCc3c(cnc4[nH]ncc34)C2)c1.
What is the InChIKey of N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide?
The InChIKey is XEGCEQHXYIVKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O2/c31-22(26-12-18-5-1-2-8-24-18)15-4-3-6-17(10-15)28-23(32)30-9-7-19-16(14-30)11-25-21-20(19)13-27-29-21/h1-6,8,10-11,13H,7,9,12,14H2,(H,26,31)(H,28,32)(H,25,27,29).
What are the key properties of N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide?
N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide has a molecular weight of 427.47 g/mol, XLogP of 2.87, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide is sourced from PubChem (CID 59490366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).