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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methoxyphenyl)-N-[6-(1-methyl-1H-pyrazol-4-yl)isoquinolin-3-yl]acetamide
CID 58082451
3-ethoxy-N-pyridin-2-ylnaphthalene-2-carboxamide
CID 5302933
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(4-methoxyphenyl)pyrazol-1-yl]pyridine-3-carboxamide
CID 66720148
N-[(1S,2S)-2-Hydroxycyclohexyl]-1-methoxy-4-{[6-(1H-pyrazol-1-yl)pyridine-3-yl]methyl}-2-naphthamide
CID 71281209
2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-N-[4-[5-(methylcarbamoyl)naphthalen-2-yl]oxy-2-pyridinyl]pyrimidine-5-carboxamide
CID 145351735
N-methyl-6-[[2-[[4-(prop-2-enoylamino)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide
CID 145351737
N-methyl-6-[[2-[(4-morpholin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide
CID 145351739
6-[[2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide
CID 145351765
N-methyl-6-[[2-[[4-(2-pyrrolidin-1-ylethoxy)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide
CID 145351766
N-methyl-6-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide
CID 145351784
6-[[2-[[4-[(4-hydroxyoxan-4-yl)methylamino]benzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide
CID 145351797
6-[[2-[[4-[(1-aminocyclopropyl)methoxy]benzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide
CID 145351798

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).