4-(cyclohexylmethylamino)-6-[(5-ethynylpyrazin-2-yl)amino]-N-(2-methoxyethyl)pyridine-3-carboxamide

C22H28N6O2 — CID 160598582

IUPAC4-(cyclohexylmethylamino)-6-[(5-ethynylpyrazin-2-yl)amino]-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILESC#Cc1cnc(Nc2cc(NCC3CCCCC3)c(C(=O)NCCOC)cn2)cn1
InChIInChI=1S/C22H28N6O2/c1-3-17-13-26-21(15-24-17)28-20-11-19(25-12-16-7-5-4-6-8-16)18(14-27-20)22(29)23-9-10-30-2/h1,11,13-16H,4-10,12H2,2H3,(H,23,29)(H2,25,26,27,28)
InChIKeyMSGRXLBTNCRIJX-UHFFFAOYSA-N
MW408.51 g/mol
LogP2.96
Rot. Bonds9

About 4-(cyclohexylmethylamino)-6-[(5-ethynylpyrazin-2-yl)amino]-N-(2-methoxyethyl)pyridine-3-carboxamide

4-(cyclohexylmethylamino)-6-[(5-ethynylpyrazin-2-yl)amino]-N-(2-methoxyethyl)pyridine-3-carboxamide (PubChem CID 160598582) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is 4-(cyclohexylmethylamino)-6-[(5-ethynylpyrazin-2-yl)amino]-N-(2-methoxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(cyclohexylmethylamino)-6-[(5-ethynylpyrazin-2-yl)amino]-N-(2-methoxyethyl)pyridine-3-carboxamide
PubChem CID160598582
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC Name4-(cyclohexylmethylamino)-6-[(5-ethynylpyrazin-2-yl)amino]-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILESC#Cc1cnc(Nc2cc(NCC3CCCCC3)c(C(=O)NCCOC)cn2)cn1
InChIInChI=1S/C22H28N6O2/c1-3-17-13-26-21(15-24-17)28-20-11-19(25-12-16-7-5-4-6-8-16)18(14-27-20)22(29)23-9-10-30-2/h1,11,13-16H,4-10,12H2,2H3,(H,23,29)(H2,25,26,27,28)
InChIKeyMSGRXLBTNCRIJX-UHFFFAOYSA-N
XLogP2.96
TPSA101.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-(cyclohexylmethylamino)-6-[(5-ethynylpyrazin-2-yl)amino]-N-(2-methoxyethyl)pyridine-3-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

methyl 4-(cyclohexylmethylamino)-6-[(5-ethynylpyrazin-2-yl)amino]pyridine-3-carboxylate
CID 159692284
6-[(5-cyanopyrazin-2-yl)amino]-N-(2-methoxyethyl)-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide
CID 59613342
methyl 6-[(5-ethynylpyrazin-2-yl)amino]-4-[(1-fluorocyclohexyl)methylamino]pyridine-3-carboxylate
CID 160598581
methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]pyridine-3-carboxylate
CID 59613326
5-[[5-(cyclohexylmethylamino)-6-methylpyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 167633129
5-[[4-(cyclohexylmethylamino)-5-[4-(2-hydroxyethoxy)phenyl]-2-pyridinyl]amino]pyrazine-2-carbonitrile
CID 147488652
6-[(5-cyanopyrazin-2-yl)amino]-N-[(3E)-2-methoxyhexa-1,3,5-trien-3-yl]-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide
CID 143784615
2-N-(5-ethynylpyrazin-2-yl)-4-N-(piperidin-2-ylmethyl)pyridine-2,4,5-triamine
CID 88882255
2-N-(5-ethynylpyrazin-2-yl)-4-N-(piperidin-3-ylmethyl)-5-pyrrol-1-ylpyridine-2,4-diamine
CID 88882259
6-[(1-hydroxycyclohexyl)methylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 133447591
5-chloro-N-(cyclohexylmethyl)-2-(propylamino)pyridine-4-carboxamide
CID 114922216
N-[6-[(5-cyanopyrazin-2-yl)amino]-4-(piperidin-4-ylmethylamino)-3-pyridinyl]acetamide
CID 42610172

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethylamino)-6-[(5-ethynylpyrazin-2-yl)amino]-N-(2-methoxyethyl)pyridine-3-carboxamide?
The IUPAC name of 4-(cyclohexylmethylamino)-6-[(5-ethynylpyrazin-2-yl)amino]-N-(2-methoxyethyl)pyridine-3-carboxamide (CID 160598582) is 4-(cyclohexylmethylamino)-6-[(5-ethynylpyrazin-2-yl)amino]-N-(2-methoxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-(cyclohexylmethylamino)-6-[(5-ethynylpyrazin-2-yl)amino]-N-(2-methoxyethyl)pyridine-3-carboxamide?
The canonical SMILES for 4-(cyclohexylmethylamino)-6-[(5-ethynylpyrazin-2-yl)amino]-N-(2-methoxyethyl)pyridine-3-carboxamide is C#Cc1cnc(Nc2cc(NCC3CCCCC3)c(C(=O)NCCOC)cn2)cn1.
What is the InChIKey of 4-(cyclohexylmethylamino)-6-[(5-ethynylpyrazin-2-yl)amino]-N-(2-methoxyethyl)pyridine-3-carboxamide?
The InChIKey is MSGRXLBTNCRIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2/c1-3-17-13-26-21(15-24-17)28-20-11-19(25-12-16-7-5-4-6-8-16)18(14-27-20)22(29)23-9-10-30-2/h1,11,13-16H,4-10,12H2,2H3,(H,23,29)(H2,25,26,27,28).
What are the key properties of 4-(cyclohexylmethylamino)-6-[(5-ethynylpyrazin-2-yl)amino]-N-(2-methoxyethyl)pyridine-3-carboxamide?
4-(cyclohexylmethylamino)-6-[(5-ethynylpyrazin-2-yl)amino]-N-(2-methoxyethyl)pyridine-3-carboxamide has a molecular weight of 408.51 g/mol, XLogP of 2.96, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethylamino)-6-[(5-ethynylpyrazin-2-yl)amino]-N-(2-methoxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 160598582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).