N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide

C28H30N4O3 — CID 54589421

IUPACN-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide
SMILESCOc1c(C(=O)N[C@H]2CCCC[C@@H]2O)cc(Cc2ccc(-c3cnn(C)c3)nc2)c2ccccc12
InChIInChI=1S/C28H30N4O3/c1-32-17-20(16-30-32)24-12-11-18(15-29-24)13-19-14-23(27(35-2)22-8-4-3-7-21(19)22)28(34)31-25-9-5-6-10-26(25)33/h3-4,7-8,11-12,14-17,25-26,33H,5-6,9-10,13H2,1-2H3,(H,31,34)/t25-,26-/m0/s1
InChIKeyNNCNYJJGXSILJI-UIOOFZCWSA-N
MW470.57 g/mol
LogP4.27
Rot. Bonds6

About N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide

N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide (PubChem CID 54589421) has the molecular formula C28H30N4O3 and a molecular weight of 470.57 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide
PubChem CID54589421
Molecular FormulaC28H30N4O3
Molecular Weight470.57 g/mol
Exact Mass470.23
IUPAC NameN-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide
SMILESCOc1c(C(=O)N[C@H]2CCCC[C@@H]2O)cc(Cc2ccc(-c3cnn(C)c3)nc2)c2ccccc12
InChIInChI=1S/C28H30N4O3/c1-32-17-20(16-30-32)24-12-11-18(15-29-24)13-19-14-23(27(35-2)22-8-4-3-7-21(19)22)28(34)31-25-9-5-6-10-26(25)33/h3-4,7-8,11-12,14-17,25-26,33H,5-6,9-10,13H2,1-2H3,(H,31,34)/t25-,26-/m0/s1
InChIKeyNNCNYJJGXSILJI-UIOOFZCWSA-N
XLogP4.27
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide (CID 54589421) is N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide is COc1c(C(=O)N[C@H]2CCCC[C@@H]2O)cc(Cc2ccc(-c3cnn(C)c3)nc2)c2ccccc12.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide?
The InChIKey is NNCNYJJGXSILJI-UIOOFZCWSA-N. The full InChI is InChI=1S/C28H30N4O3/c1-32-17-20(16-30-32)24-12-11-18(15-29-24)13-19-14-23(27(35-2)22-8-4-3-7-21(19)22)28(34)31-25-9-5-6-10-26(25)33/h3-4,7-8,11-12,14-17,25-26,33H,5-6,9-10,13H2,1-2H3,(H,31,34)/t25-,26-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide?
N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide has a molecular weight of 470.57 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide is sourced from PubChem (CID 54589421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).