N-hydroxy-5-[1-[6-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-pyridinyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

C24H25N5O4S — CID 70681907

IUPACN-hydroxy-5-[1-[6-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-pyridinyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccc(C(C)N3CCc4nc(C(=O)NO)sc4C3)cn2)cc1
InChIInChI=1S/C24H25N5O4S/c1-15(29-12-11-19-20(14-29)34-24(26-19)23(31)28-32)17-6-9-21(25-13-17)27-22(30)10-5-16-3-7-18(33-2)8-4-16/h3-10,13,15,32H,11-12,14H2,1-2H3,(H,28,31)(H,25,27,30)/b10-5+
InChIKeyRXBALWDUSRVLFZ-BJMVGYQFSA-N
MW479.56 g/mol
LogP3.44
Rot. Bonds7

About N-hydroxy-5-[1-[6-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-pyridinyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

N-hydroxy-5-[1-[6-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-pyridinyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 70681907) has the molecular formula C24H25N5O4S and a molecular weight of 479.56 g/mol. Its IUPAC name is N-hydroxy-5-[1-[6-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-pyridinyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-5-[1-[6-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-pyridinyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
PubChem CID70681907
Molecular FormulaC24H25N5O4S
Molecular Weight479.56 g/mol
Exact Mass479.16
IUPAC NameN-hydroxy-5-[1-[6-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-pyridinyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccc(C(C)N3CCc4nc(C(=O)NO)sc4C3)cn2)cc1
InChIInChI=1S/C24H25N5O4S/c1-15(29-12-11-19-20(14-29)34-24(26-19)23(31)28-32)17-6-9-21(25-13-17)27-22(30)10-5-16-3-7-18(33-2)8-4-16/h3-10,13,15,32H,11-12,14H2,1-2H3,(H,28,31)(H,25,27,30)/b10-5+
InChIKeyRXBALWDUSRVLFZ-BJMVGYQFSA-N
XLogP3.44
TPSA116.68 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-hydroxy-5-[1-[6-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-pyridinyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-5-[1-[6-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-pyridinyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The IUPAC name of N-hydroxy-5-[1-[6-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-pyridinyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 70681907) is N-hydroxy-5-[1-[6-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-pyridinyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-hydroxy-5-[1-[6-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-pyridinyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-hydroxy-5-[1-[6-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-pyridinyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is COc1ccc(/C=C/C(=O)Nc2ccc(C(C)N3CCc4nc(C(=O)NO)sc4C3)cn2)cc1.
What is the InChIKey of N-hydroxy-5-[1-[6-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-pyridinyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The InChIKey is RXBALWDUSRVLFZ-BJMVGYQFSA-N. The full InChI is InChI=1S/C24H25N5O4S/c1-15(29-12-11-19-20(14-29)34-24(26-19)23(31)28-32)17-6-9-21(25-13-17)27-22(30)10-5-16-3-7-18(33-2)8-4-16/h3-10,13,15,32H,11-12,14H2,1-2H3,(H,28,31)(H,25,27,30)/b10-5+.
What are the key properties of N-hydroxy-5-[1-[6-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-pyridinyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
N-hydroxy-5-[1-[6-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-pyridinyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 479.56 g/mol, XLogP of 3.44, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-[1-[6-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-pyridinyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 70681907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).