2-N,6-N-bis[3-(5-methyl-2-propan-2-ylcyclohexyl)-2-pyridinyl]naphthalene-2,6-dicarboxamide

C42H52N4O2 — CID 172636273

IUPAC2-N,6-N-bis[3-(5-methyl-2-propan-2-ylcyclohexyl)-2-pyridinyl]naphthalene-2,6-dicarboxamide
SMILESCC1CCC(C(C)C)C(c2cccnc2NC(=O)c2ccc3cc(C(=O)Nc4ncccc4C4CC(C)CCC4C(C)C)ccc3c2)C1
InChIInChI=1S/C42H52N4O2/c1-25(2)33-17-11-27(5)21-37(33)35-9-7-19-43-39(35)45-41(47)31-15-13-30-24-32(16-14-29(30)23-31)42(48)46-40-36(10-8-20-44-40)38-22-28(6)12-18-34(38)26(3)4/h7-10,13-16,19-20,23-28,33-34,37-38H,11-12,17-18,21-22H2,1-6H3,(H,43,45,47)(H,44,46,48)
InChIKeySGNIBCMCBCHWKD-UHFFFAOYSA-N
MW644.90 g/mol
LogP10.49
Rot. Bonds8

About 2-N,6-N-bis[3-(5-methyl-2-propan-2-ylcyclohexyl)-2-pyridinyl]naphthalene-2,6-dicarboxamide

2-N,6-N-bis[3-(5-methyl-2-propan-2-ylcyclohexyl)-2-pyridinyl]naphthalene-2,6-dicarboxamide (PubChem CID 172636273) has the molecular formula C42H52N4O2 and a molecular weight of 644.90 g/mol. Its IUPAC name is 2-N,6-N-bis[3-(5-methyl-2-propan-2-ylcyclohexyl)-2-pyridinyl]naphthalene-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N-bis[3-(5-methyl-2-propan-2-ylcyclohexyl)-2-pyridinyl]naphthalene-2,6-dicarboxamide
PubChem CID172636273
Molecular FormulaC42H52N4O2
Molecular Weight644.90 g/mol
Exact Mass644.41
IUPAC Name2-N,6-N-bis[3-(5-methyl-2-propan-2-ylcyclohexyl)-2-pyridinyl]naphthalene-2,6-dicarboxamide
SMILESCC1CCC(C(C)C)C(c2cccnc2NC(=O)c2ccc3cc(C(=O)Nc4ncccc4C4CC(C)CCC4C(C)C)ccc3c2)C1
InChIInChI=1S/C42H52N4O2/c1-25(2)33-17-11-27(5)21-37(33)35-9-7-19-43-39(35)45-41(47)31-15-13-30-24-32(16-14-29(30)23-31)42(48)46-40-36(10-8-20-44-40)38-22-28(6)12-18-34(38)26(3)4/h7-10,13-16,19-20,23-28,33-34,37-38H,11-12,17-18,21-22H2,1-6H3,(H,43,45,47)(H,44,46,48)
InChIKeySGNIBCMCBCHWKD-UHFFFAOYSA-N
XLogP10.49
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.90
LogP ≤ 510.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-N,6-N-bis[3-(5-methyl-2-propan-2-ylcyclohexyl)-2-pyridinyl]naphthalene-2,6-dicarboxamide with MolForge

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Launch Full Analysis

Related Compounds

[2-(5-methyl-2-propan-2-ylcyclohexyl)phenyl] prop-2-enoate
CID 67635828
2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]quinoline
CID 122214686
(5-methyl-2-propan-2-ylcyclohexyl) 3-aminopyridine-2-carboxylate
CID 104743106
[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-pyridin-2-ylmethanone
CID 10955833
[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-naphthalen-2-ylmethylidene]tungsten
CID 11135871
N-[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-phenylbenzamide
CID 126621339
N-(4-methylcyclohexyl)quinoline-6-carboxamide
CID 22136406
N-(5-methyl-2-propan-2-ylcyclohexyl)quinolin-6-amine
CID 63476993
N-(3-hydroxy-2-pyridinyl)-4-propan-2-ylbenzamide
CID 25333159
[4-(5-methyl-2-propan-2-ylcyclohexyl)phenyl] prop-2-enoate
CID 67635829
4-(cyclopropylmethoxy)-N-(3-hydroxy-2-pyridinyl)benzamide
CID 60572307
[2-methoxy-3-[(1S)-5-methyl-2-propan-2-ylcyclohexyl]phenoxy]-methyl-oxophosphanium
CID 54332940

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis[3-(5-methyl-2-propan-2-ylcyclohexyl)-2-pyridinyl]naphthalene-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N-bis[3-(5-methyl-2-propan-2-ylcyclohexyl)-2-pyridinyl]naphthalene-2,6-dicarboxamide (CID 172636273) is 2-N,6-N-bis[3-(5-methyl-2-propan-2-ylcyclohexyl)-2-pyridinyl]naphthalene-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N-bis[3-(5-methyl-2-propan-2-ylcyclohexyl)-2-pyridinyl]naphthalene-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N-bis[3-(5-methyl-2-propan-2-ylcyclohexyl)-2-pyridinyl]naphthalene-2,6-dicarboxamide is CC1CCC(C(C)C)C(c2cccnc2NC(=O)c2ccc3cc(C(=O)Nc4ncccc4C4CC(C)CCC4C(C)C)ccc3c2)C1.
What is the InChIKey of 2-N,6-N-bis[3-(5-methyl-2-propan-2-ylcyclohexyl)-2-pyridinyl]naphthalene-2,6-dicarboxamide?
The InChIKey is SGNIBCMCBCHWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H52N4O2/c1-25(2)33-17-11-27(5)21-37(33)35-9-7-19-43-39(35)45-41(47)31-15-13-30-24-32(16-14-29(30)23-31)42(48)46-40-36(10-8-20-44-40)38-22-28(6)12-18-34(38)26(3)4/h7-10,13-16,19-20,23-28,33-34,37-38H,11-12,17-18,21-22H2,1-6H3,(H,43,45,47)(H,44,46,48).
What are the key properties of 2-N,6-N-bis[3-(5-methyl-2-propan-2-ylcyclohexyl)-2-pyridinyl]naphthalene-2,6-dicarboxamide?
2-N,6-N-bis[3-(5-methyl-2-propan-2-ylcyclohexyl)-2-pyridinyl]naphthalene-2,6-dicarboxamide has a molecular weight of 644.90 g/mol, XLogP of 10.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis[3-(5-methyl-2-propan-2-ylcyclohexyl)-2-pyridinyl]naphthalene-2,6-dicarboxamide is sourced from PubChem (CID 172636273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).