N-(3-aminopropyl)-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide

C21H25N7O2S — CID 15980231

IUPACN-(3-aminopropyl)-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
SMILESNCCCNC(=O)c1cncc(-c2cnc(Nc3cc(N4CCOCC4)ccn3)s2)c1
InChIInChI=1S/C21H25N7O2S/c22-3-1-4-25-20(29)16-10-15(12-23-13-16)18-14-26-21(31-18)27-19-11-17(2-5-24-19)28-6-8-30-9-7-28/h2,5,10-14H,1,3-4,6-9,22H2,(H,25,29)(H,24,26,27)
InChIKeyGXTGMRQGYJPOSN-UHFFFAOYSA-N
MW439.55 g/mol
LogP2.26
Rot. Bonds8

About N-(3-aminopropyl)-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide

N-(3-aminopropyl)-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide (PubChem CID 15980231) has the molecular formula C21H25N7O2S and a molecular weight of 439.55 g/mol. Its IUPAC name is N-(3-aminopropyl)-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
PubChem CID15980231
Molecular FormulaC21H25N7O2S
Molecular Weight439.55 g/mol
Exact Mass439.18
IUPAC NameN-(3-aminopropyl)-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
SMILESNCCCNC(=O)c1cncc(-c2cnc(Nc3cc(N4CCOCC4)ccn3)s2)c1
InChIInChI=1S/C21H25N7O2S/c22-3-1-4-25-20(29)16-10-15(12-23-13-16)18-14-26-21(31-18)27-19-11-17(2-5-24-19)28-6-8-30-9-7-28/h2,5,10-14H,1,3-4,6-9,22H2,(H,25,29)(H,24,26,27)
InChIKeyGXTGMRQGYJPOSN-UHFFFAOYSA-N
XLogP2.26
TPSA118.29 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.55
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide?
The IUPAC name of N-(3-aminopropyl)-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide (CID 15980231) is N-(3-aminopropyl)-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide is NCCCNC(=O)c1cncc(-c2cnc(Nc3cc(N4CCOCC4)ccn3)s2)c1.
What is the InChIKey of N-(3-aminopropyl)-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide?
The InChIKey is GXTGMRQGYJPOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O2S/c22-3-1-4-25-20(29)16-10-15(12-23-13-16)18-14-26-21(31-18)27-19-11-17(2-5-24-19)28-6-8-30-9-7-28/h2,5,10-14H,1,3-4,6-9,22H2,(H,25,29)(H,24,26,27).
What are the key properties of N-(3-aminopropyl)-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide?
N-(3-aminopropyl)-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide has a molecular weight of 439.55 g/mol, XLogP of 2.26, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide is sourced from PubChem (CID 15980231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).