N-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-2-piperidin-1-yl-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide

C22H26N8OS — CID 142483504

IUPACN-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-2-piperidin-1-yl-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide
SMILES[H]/N=C(/c1cccc(NC(=O)c2cc3sc(N4CCCCC4)nc3cn2)n1)N(/C=N/[H])C(C)C
InChIInChI=1S/C22H26N8OS/c1-14(2)30(13-23)20(24)15-7-6-8-19(26-15)28-21(31)16-11-18-17(12-25-16)27-22(32-18)29-9-4-3-5-10-29/h6-8,11-14,23-24H,3-5,9-10H2,1-2H3,(H,26,28,31)/b23-13+,24-20-
InChIKeyKWNQCADBXLMZNY-ZXIALEJOSA-N
MW450.57 g/mol
LogP3.97
Rot. Bonds6

About N-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-2-piperidin-1-yl-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide

N-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-2-piperidin-1-yl-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide (PubChem CID 142483504) has the molecular formula C22H26N8OS and a molecular weight of 450.57 g/mol. Its IUPAC name is N-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-2-piperidin-1-yl-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-2-piperidin-1-yl-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide
PubChem CID142483504
Molecular FormulaC22H26N8OS
Molecular Weight450.57 g/mol
Exact Mass450.20
IUPAC NameN-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-2-piperidin-1-yl-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide
SMILES[H]/N=C(/c1cccc(NC(=O)c2cc3sc(N4CCCCC4)nc3cn2)n1)N(/C=N/[H])C(C)C
InChIInChI=1S/C22H26N8OS/c1-14(2)30(13-23)20(24)15-7-6-8-19(26-15)28-21(31)16-11-18-17(12-25-16)27-22(32-18)29-9-4-3-5-10-29/h6-8,11-14,23-24H,3-5,9-10H2,1-2H3,(H,26,28,31)/b23-13+,24-20-
InChIKeyKWNQCADBXLMZNY-ZXIALEJOSA-N
XLogP3.97
TPSA121.95 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.57
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]isoquinoline-3-carboxamide
CID 142483411
N-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-2-(pyrrolidine-1-carbonyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
CID 142483703
N-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,3-benzothiazole-6-carboxamide
CID 142483500
2-piperidin-1-yl-[1,3]thiazolo[4,5-c]pyridine-6-carboxylic acid
CID 135386900
N-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-3-phenylmethoxybenzamide
CID 142442235
5-[3-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-methylpyridine-2-carboxamide
CID 155748063
N-[4-(4-cyclopropylimidazol-1-yl)-2-pyridinyl]-6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)pyridine-2-carboxamide
CID 142350849
6-amino-N-methanimidoyl-N-propan-2-ylpyridine-2-carboximidamide
CID 134410100
2-piperidin-1-yl-N-propan-2-yl-1,3-benzothiazole-6-carboxamide
CID 20889589
N-methanimidoyl-6-[2-oxo-3-[4-[3-(propan-2-ylamino)azetidin-1-yl]phenyl]imidazolidin-1-yl]-N-propan-2-ylpyridine-2-carboximidamide;molecular hydrogen
CID 155748009
N-methanimidoyl-6-(2-oxo-3-phenylimidazolidin-1-yl)-N-propan-2-ylpyridine-2-carboximidamide
CID 155748058
N-[6-(N-hydrazinyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-6-methoxy-2-pyrrolidin-1-ylsulfanyl-1,3-dihydroisoindole-5-carboxamide
CID 142483732

Frequently Asked Questions

What is the IUPAC name of N-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-2-piperidin-1-yl-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of N-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-2-piperidin-1-yl-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide (CID 142483504) is N-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-2-piperidin-1-yl-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for N-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-2-piperidin-1-yl-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for N-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-2-piperidin-1-yl-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide is [H]/N=C(/c1cccc(NC(=O)c2cc3sc(N4CCCCC4)nc3cn2)n1)N(/C=N/[H])C(C)C.
What is the InChIKey of N-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-2-piperidin-1-yl-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide?
The InChIKey is KWNQCADBXLMZNY-ZXIALEJOSA-N. The full InChI is InChI=1S/C22H26N8OS/c1-14(2)30(13-23)20(24)15-7-6-8-19(26-15)28-21(31)16-11-18-17(12-25-16)27-22(32-18)29-9-4-3-5-10-29/h6-8,11-14,23-24H,3-5,9-10H2,1-2H3,(H,26,28,31)/b23-13+,24-20-.
What are the key properties of N-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-2-piperidin-1-yl-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide?
N-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-2-piperidin-1-yl-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide has a molecular weight of 450.57 g/mol, XLogP of 3.97, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-2-piperidin-1-yl-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 142483504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).