N-[6-[(5-cyanopyrazin-2-yl)amino]-4-(piperidin-4-ylmethylamino)-3-pyridinyl]acetamide

C18H22N8O — CID 42610172

IUPACN-[6-[(5-cyanopyrazin-2-yl)amino]-4-(piperidin-4-ylmethylamino)-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cnc(Nc2cnc(C#N)cn2)cc1NCC1CCNCC1
InChIInChI=1S/C18H22N8O/c1-12(27)25-16-10-24-17(26-18-11-21-14(7-19)9-23-18)6-15(16)22-8-13-2-4-20-5-3-13/h6,9-11,13,20H,2-5,8H2,1H3,(H,25,27)(H2,22,23,24,26)
InChIKeyPUWXRWRIEGIWQC-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.86
Rot. Bonds6

About N-[6-[(5-cyanopyrazin-2-yl)amino]-4-(piperidin-4-ylmethylamino)-3-pyridinyl]acetamide

N-[6-[(5-cyanopyrazin-2-yl)amino]-4-(piperidin-4-ylmethylamino)-3-pyridinyl]acetamide (PubChem CID 42610172) has the molecular formula C18H22N8O and a molecular weight of 366.43 g/mol. Its IUPAC name is N-[6-[(5-cyanopyrazin-2-yl)amino]-4-(piperidin-4-ylmethylamino)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[6-[(5-cyanopyrazin-2-yl)amino]-4-(piperidin-4-ylmethylamino)-3-pyridinyl]acetamide
PubChem CID42610172
Molecular FormulaC18H22N8O
Molecular Weight366.43 g/mol
Exact Mass366.19
IUPAC NameN-[6-[(5-cyanopyrazin-2-yl)amino]-4-(piperidin-4-ylmethylamino)-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cnc(Nc2cnc(C#N)cn2)cc1NCC1CCNCC1
InChIInChI=1S/C18H22N8O/c1-12(27)25-16-10-24-17(26-18-11-21-14(7-19)9-23-18)6-15(16)22-8-13-2-4-20-5-3-13/h6,9-11,13,20H,2-5,8H2,1H3,(H,25,27)(H2,22,23,24,26)
InChIKeyPUWXRWRIEGIWQC-UHFFFAOYSA-N
XLogP1.86
TPSA127.65 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

6-[(5-cyanopyrazin-2-yl)amino]-N-(2-methoxyethyl)-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide
CID 59613342
5-[[5-(3-hydroxy-3-methylbut-1-ynyl)-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile
CID 59613386
5-[[6-bromo-5-(piperidin-4-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155595069
5-[[5-(piperidin-4-ylmethylamino)-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile;2,2,2-trifluoroacetic acid
CID 175303051
5-[[5-(piperidin-4-ylmethylamino)-6-(pyrrolidine-1-carbonyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 164599291
5-[[6-(3-hydroxy-3-methylbut-1-ynyl)-5-(piperidin-4-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155594895
ethane;5-[[5-(4-methylsulfonylphenyl)-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile
CID 143784516
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
ethane;5-[[5-(3-fluorophenyl)-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile
CID 143784500
5-[[4-(piperidin-4-ylmethylamino)-5-(3-sulfanylphenyl)-2-pyridinyl]amino]pyrazine-2-carbonitrile
CID 70669554
6-[(5-cyanopyrazin-2-yl)amino]-N-[4-(2-morpholin-4-ylethoxy)phenyl]-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide;ethane
CID 143784563
6-[(5-cyanopyrazin-2-yl)amino]-N-phenyl-4-(pyrrolidin-3-ylmethylamino)pyridazine-3-carboxamide
CID 164598967

Frequently Asked Questions

What is the IUPAC name of N-[6-[(5-cyanopyrazin-2-yl)amino]-4-(piperidin-4-ylmethylamino)-3-pyridinyl]acetamide?
The IUPAC name of N-[6-[(5-cyanopyrazin-2-yl)amino]-4-(piperidin-4-ylmethylamino)-3-pyridinyl]acetamide (CID 42610172) is N-[6-[(5-cyanopyrazin-2-yl)amino]-4-(piperidin-4-ylmethylamino)-3-pyridinyl]acetamide.
What is the SMILES notation for N-[6-[(5-cyanopyrazin-2-yl)amino]-4-(piperidin-4-ylmethylamino)-3-pyridinyl]acetamide?
The canonical SMILES for N-[6-[(5-cyanopyrazin-2-yl)amino]-4-(piperidin-4-ylmethylamino)-3-pyridinyl]acetamide is CC(=O)Nc1cnc(Nc2cnc(C#N)cn2)cc1NCC1CCNCC1.
What is the InChIKey of N-[6-[(5-cyanopyrazin-2-yl)amino]-4-(piperidin-4-ylmethylamino)-3-pyridinyl]acetamide?
The InChIKey is PUWXRWRIEGIWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8O/c1-12(27)25-16-10-24-17(26-18-11-21-14(7-19)9-23-18)6-15(16)22-8-13-2-4-20-5-3-13/h6,9-11,13,20H,2-5,8H2,1H3,(H,25,27)(H2,22,23,24,26).
What are the key properties of N-[6-[(5-cyanopyrazin-2-yl)amino]-4-(piperidin-4-ylmethylamino)-3-pyridinyl]acetamide?
N-[6-[(5-cyanopyrazin-2-yl)amino]-4-(piperidin-4-ylmethylamino)-3-pyridinyl]acetamide has a molecular weight of 366.43 g/mol, XLogP of 1.86, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(5-cyanopyrazin-2-yl)amino]-4-(piperidin-4-ylmethylamino)-3-pyridinyl]acetamide is sourced from PubChem (CID 42610172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).