N-[[1-[(5-methoxy-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C30H33N5O2 — CID 59597309

IUPACN-[[1-[(5-methoxy-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCOc1ccc(Cn2cc(CN(C(=O)C3CCCc4ccccc43)c3ccc(C(C)C)nc3)cn2)nc1
InChIInChI=1S/C30H33N5O2/c1-21(2)29-14-12-25(16-32-29)35(30(36)28-10-6-8-23-7-4-5-9-27(23)28)19-22-15-33-34(18-22)20-24-11-13-26(37-3)17-31-24/h4-5,7,9,11-18,21,28H,6,8,10,19-20H2,1-3H3
InChIKeyYQGMUAMPJDMINP-UHFFFAOYSA-N
MW495.63 g/mol
LogP5.51
Rot. Bonds8

About N-[[1-[(5-methoxy-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

N-[[1-[(5-methoxy-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 59597309) has the molecular formula C30H33N5O2 and a molecular weight of 495.63 g/mol. Its IUPAC name is N-[[1-[(5-methoxy-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[[1-[(5-methoxy-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID59597309
Molecular FormulaC30H33N5O2
Molecular Weight495.63 g/mol
Exact Mass495.26
IUPAC NameN-[[1-[(5-methoxy-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCOc1ccc(Cn2cc(CN(C(=O)C3CCCc4ccccc43)c3ccc(C(C)C)nc3)cn2)nc1
InChIInChI=1S/C30H33N5O2/c1-21(2)29-14-12-25(16-32-29)35(30(36)28-10-6-8-23-7-4-5-9-27(23)28)19-22-15-33-34(18-22)20-24-11-13-26(37-3)17-31-24/h4-5,7,9,11-18,21,28H,6,8,10,19-20H2,1-3H3
InChIKeyYQGMUAMPJDMINP-UHFFFAOYSA-N
XLogP5.51
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.63
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-methoxy-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of N-[[1-[(5-methoxy-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 59597309) is N-[[1-[(5-methoxy-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for N-[[1-[(5-methoxy-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for N-[[1-[(5-methoxy-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is COc1ccc(Cn2cc(CN(C(=O)C3CCCc4ccccc43)c3ccc(C(C)C)nc3)cn2)nc1.
What is the InChIKey of N-[[1-[(5-methoxy-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is YQGMUAMPJDMINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O2/c1-21(2)29-14-12-25(16-32-29)35(30(36)28-10-6-8-23-7-4-5-9-27(23)28)19-22-15-33-34(18-22)20-24-11-13-26(37-3)17-31-24/h4-5,7,9,11-18,21,28H,6,8,10,19-20H2,1-3H3.
What are the key properties of N-[[1-[(5-methoxy-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
N-[[1-[(5-methoxy-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 495.63 g/mol, XLogP of 5.51, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-methoxy-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 59597309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).