5-[[(Z)-3-amino-2-[5-[(E,1Z)-1-(3-methyl-1,3-oxazinan-2-ylidene)pent-2-enyl]-1,3-thiazol-2-yl]prop-2-enoyl]amino]-6-methyl-N-propylpyridine-3-carboxamide

C26H34N6O3S — CID 170635912

IUPAC5-[[(Z)-3-amino-2-[5-[(E,1Z)-1-(3-methyl-1,3-oxazinan-2-ylidene)pent-2-enyl]-1,3-thiazol-2-yl]prop-2-enoyl]amino]-6-methyl-N-propylpyridine-3-carboxamide
SMILESCC/C=C/C(=C1/OCCCN1C)c1cnc(/C(=C\N)C(=O)Nc2cc(C(=O)NCCC)cnc2C)s1
InChIInChI=1S/C26H34N6O3S/c1-5-7-9-19(26-32(4)11-8-12-35-26)22-16-30-25(36-22)20(14-27)24(34)31-21-13-18(15-29-17(21)3)23(33)28-10-6-2/h7,9,13-16H,5-6,8,10-12,27H2,1-4H3,(H,28,33)(H,31,34)/b9-7+,20-14-,26-19-
InChIKeyLZRPAPBRZLARGV-USPHGGSOSA-N
MW510.66 g/mol
LogP3.91
Rot. Bonds9

About 5-[[(Z)-3-amino-2-[5-[(E,1Z)-1-(3-methyl-1,3-oxazinan-2-ylidene)pent-2-enyl]-1,3-thiazol-2-yl]prop-2-enoyl]amino]-6-methyl-N-propylpyridine-3-carboxamide

5-[[(Z)-3-amino-2-[5-[(E,1Z)-1-(3-methyl-1,3-oxazinan-2-ylidene)pent-2-enyl]-1,3-thiazol-2-yl]prop-2-enoyl]amino]-6-methyl-N-propylpyridine-3-carboxamide (PubChem CID 170635912) has the molecular formula C26H34N6O3S and a molecular weight of 510.66 g/mol. Its IUPAC name is 5-[[(Z)-3-amino-2-[5-[(E,1Z)-1-(3-methyl-1,3-oxazinan-2-ylidene)pent-2-enyl]-1,3-thiazol-2-yl]prop-2-enoyl]amino]-6-methyl-N-propylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[[(Z)-3-amino-2-[5-[(E,1Z)-1-(3-methyl-1,3-oxazinan-2-ylidene)pent-2-enyl]-1,3-thiazol-2-yl]prop-2-enoyl]amino]-6-methyl-N-propylpyridine-3-carboxamide
PubChem CID170635912
Molecular FormulaC26H34N6O3S
Molecular Weight510.66 g/mol
Exact Mass510.24
IUPAC Name5-[[(Z)-3-amino-2-[5-[(E,1Z)-1-(3-methyl-1,3-oxazinan-2-ylidene)pent-2-enyl]-1,3-thiazol-2-yl]prop-2-enoyl]amino]-6-methyl-N-propylpyridine-3-carboxamide
SMILESCC/C=C/C(=C1/OCCCN1C)c1cnc(/C(=C\N)C(=O)Nc2cc(C(=O)NCCC)cnc2C)s1
InChIInChI=1S/C26H34N6O3S/c1-5-7-9-19(26-32(4)11-8-12-35-26)22-16-30-25(36-22)20(14-27)24(34)31-21-13-18(15-29-17(21)3)23(33)28-10-6-2/h7,9,13-16H,5-6,8,10-12,27H2,1-4H3,(H,28,33)(H,31,34)/b9-7+,20-14-,26-19-
InChIKeyLZRPAPBRZLARGV-USPHGGSOSA-N
XLogP3.91
TPSA122.47 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.66
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5-[[(Z)-3-amino-2-[5-[(E,1Z)-1-(3-methyl-1,3-oxazinan-2-ylidene)pent-2-enyl]-1,3-thiazol-2-yl]prop-2-enoyl]amino]-6-methyl-N-propylpyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[(Z)-3-amino-2-[5-[(E,1Z)-1-(3-methyl-1,3-oxazinan-2-ylidene)pent-2-enyl]-1,3-thiazol-2-yl]prop-2-enoyl]amino]-6-methyl-N-propylpyridine-3-carboxamide?
The IUPAC name of 5-[[(Z)-3-amino-2-[5-[(E,1Z)-1-(3-methyl-1,3-oxazinan-2-ylidene)pent-2-enyl]-1,3-thiazol-2-yl]prop-2-enoyl]amino]-6-methyl-N-propylpyridine-3-carboxamide (CID 170635912) is 5-[[(Z)-3-amino-2-[5-[(E,1Z)-1-(3-methyl-1,3-oxazinan-2-ylidene)pent-2-enyl]-1,3-thiazol-2-yl]prop-2-enoyl]amino]-6-methyl-N-propylpyridine-3-carboxamide.
What is the SMILES notation for 5-[[(Z)-3-amino-2-[5-[(E,1Z)-1-(3-methyl-1,3-oxazinan-2-ylidene)pent-2-enyl]-1,3-thiazol-2-yl]prop-2-enoyl]amino]-6-methyl-N-propylpyridine-3-carboxamide?
The canonical SMILES for 5-[[(Z)-3-amino-2-[5-[(E,1Z)-1-(3-methyl-1,3-oxazinan-2-ylidene)pent-2-enyl]-1,3-thiazol-2-yl]prop-2-enoyl]amino]-6-methyl-N-propylpyridine-3-carboxamide is CC/C=C/C(=C1/OCCCN1C)c1cnc(/C(=C\N)C(=O)Nc2cc(C(=O)NCCC)cnc2C)s1.
What is the InChIKey of 5-[[(Z)-3-amino-2-[5-[(E,1Z)-1-(3-methyl-1,3-oxazinan-2-ylidene)pent-2-enyl]-1,3-thiazol-2-yl]prop-2-enoyl]amino]-6-methyl-N-propylpyridine-3-carboxamide?
The InChIKey is LZRPAPBRZLARGV-USPHGGSOSA-N. The full InChI is InChI=1S/C26H34N6O3S/c1-5-7-9-19(26-32(4)11-8-12-35-26)22-16-30-25(36-22)20(14-27)24(34)31-21-13-18(15-29-17(21)3)23(33)28-10-6-2/h7,9,13-16H,5-6,8,10-12,27H2,1-4H3,(H,28,33)(H,31,34)/b9-7+,20-14-,26-19-.
What are the key properties of 5-[[(Z)-3-amino-2-[5-[(E,1Z)-1-(3-methyl-1,3-oxazinan-2-ylidene)pent-2-enyl]-1,3-thiazol-2-yl]prop-2-enoyl]amino]-6-methyl-N-propylpyridine-3-carboxamide?
5-[[(Z)-3-amino-2-[5-[(E,1Z)-1-(3-methyl-1,3-oxazinan-2-ylidene)pent-2-enyl]-1,3-thiazol-2-yl]prop-2-enoyl]amino]-6-methyl-N-propylpyridine-3-carboxamide has a molecular weight of 510.66 g/mol, XLogP of 3.91, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(Z)-3-amino-2-[5-[(E,1Z)-1-(3-methyl-1,3-oxazinan-2-ylidene)pent-2-enyl]-1,3-thiazol-2-yl]prop-2-enoyl]amino]-6-methyl-N-propylpyridine-3-carboxamide is sourced from PubChem (CID 170635912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).