1-(2-hydroxyethyl)-N-[4-[5-(methylcarbamoyl)naphthalen-2-yl]oxy-2-pyridinyl]pyrazole-4-carboxamide

C23H21N5O4 — CID 145351799

IUPAC1-(2-hydroxyethyl)-N-[4-[5-(methylcarbamoyl)naphthalen-2-yl]oxy-2-pyridinyl]pyrazole-4-carboxamide
SMILESCNC(=O)c1cccc2cc(Oc3ccnc(NC(=O)c4cnn(CCO)c4)c3)ccc12
InChIInChI=1S/C23H21N5O4/c1-24-23(31)20-4-2-3-15-11-17(5-6-19(15)20)32-18-7-8-25-21(12-18)27-22(30)16-13-26-28(14-16)9-10-29/h2-8,11-14,29H,9-10H2,1H3,(H,24,31)(H,25,27,30)
InChIKeyVTWDHPYHBOBWSL-UHFFFAOYSA-N
MW431.45 g/mol
LogP2.83
Rot. Bonds7

About 1-(2-hydroxyethyl)-N-[4-[5-(methylcarbamoyl)naphthalen-2-yl]oxy-2-pyridinyl]pyrazole-4-carboxamide

1-(2-hydroxyethyl)-N-[4-[5-(methylcarbamoyl)naphthalen-2-yl]oxy-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 145351799) has the molecular formula C23H21N5O4 and a molecular weight of 431.45 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-N-[4-[5-(methylcarbamoyl)naphthalen-2-yl]oxy-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-N-[4-[5-(methylcarbamoyl)naphthalen-2-yl]oxy-2-pyridinyl]pyrazole-4-carboxamide
PubChem CID145351799
Molecular FormulaC23H21N5O4
Molecular Weight431.45 g/mol
Exact Mass431.16
IUPAC Name1-(2-hydroxyethyl)-N-[4-[5-(methylcarbamoyl)naphthalen-2-yl]oxy-2-pyridinyl]pyrazole-4-carboxamide
SMILESCNC(=O)c1cccc2cc(Oc3ccnc(NC(=O)c4cnn(CCO)c4)c3)ccc12
InChIInChI=1S/C23H21N5O4/c1-24-23(31)20-4-2-3-15-11-17(5-6-19(15)20)32-18-7-8-25-21(12-18)27-22(30)16-13-26-28(14-16)9-10-29/h2-8,11-14,29H,9-10H2,1H3,(H,24,31)(H,25,27,30)
InChIKeyVTWDHPYHBOBWSL-UHFFFAOYSA-N
XLogP2.83
TPSA118.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-N-[4-[5-(methylcarbamoyl)naphthalen-2-yl]oxy-2-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(2-hydroxyethyl)-N-[4-[5-(methylcarbamoyl)naphthalen-2-yl]oxy-2-pyridinyl]pyrazole-4-carboxamide (CID 145351799) is 1-(2-hydroxyethyl)-N-[4-[5-(methylcarbamoyl)naphthalen-2-yl]oxy-2-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-hydroxyethyl)-N-[4-[5-(methylcarbamoyl)naphthalen-2-yl]oxy-2-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-hydroxyethyl)-N-[4-[5-(methylcarbamoyl)naphthalen-2-yl]oxy-2-pyridinyl]pyrazole-4-carboxamide is CNC(=O)c1cccc2cc(Oc3ccnc(NC(=O)c4cnn(CCO)c4)c3)ccc12.
What is the InChIKey of 1-(2-hydroxyethyl)-N-[4-[5-(methylcarbamoyl)naphthalen-2-yl]oxy-2-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is VTWDHPYHBOBWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O4/c1-24-23(31)20-4-2-3-15-11-17(5-6-19(15)20)32-18-7-8-25-21(12-18)27-22(30)16-13-26-28(14-16)9-10-29/h2-8,11-14,29H,9-10H2,1H3,(H,24,31)(H,25,27,30).
What are the key properties of 1-(2-hydroxyethyl)-N-[4-[5-(methylcarbamoyl)naphthalen-2-yl]oxy-2-pyridinyl]pyrazole-4-carboxamide?
1-(2-hydroxyethyl)-N-[4-[5-(methylcarbamoyl)naphthalen-2-yl]oxy-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 431.45 g/mol, XLogP of 2.83, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-N-[4-[5-(methylcarbamoyl)naphthalen-2-yl]oxy-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 145351799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).