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-(2-piperidin-1-ylethyl)pyridine-3-carboxamide

C30H41N7O3S — CID 170635901

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-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
SMILESCC/C=C/C(=C1/OCCCN1C)c1cnc(/C(=C\N)C(=O)Nc2cc(C(=O)NCCN3CCCCC3)cnc2C)s1
InChIInChI=1S/C30H41N7O3S/c1-4-5-10-23(30-36(3)12-9-16-40-30)26-20-34-29(41-26)24(18-31)28(39)35-25-17-22(19-33-21(25)2)27(38)32-11-15-37-13-7-6-8-14-37/h5,10,17-20H,4,6-9,11-16,31H2,1-3H3,(H,32,38)(H,35,39)/b10-5+,24-18-,30-23-
InChIKeyQQAFCBPOAPNGNV-QGUGXKHTSA-N
MW579.77 g/mol
LogP3.99
Rot. Bonds10

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-(2-piperidin-1-ylethyl)pyridine-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-(2-piperidin-1-ylethyl)pyridine-3-carboxamide (PubChem CID 170635901) has the molecular formula C30H41N7O3S and a molecular weight of 579.77 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-(2-piperidin-1-ylethyl)pyridine-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-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
PubChem CID170635901
Molecular FormulaC30H41N7O3S
Molecular Weight579.77 g/mol
Exact Mass579.30
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-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
SMILESCC/C=C/C(=C1/OCCCN1C)c1cnc(/C(=C\N)C(=O)Nc2cc(C(=O)NCCN3CCCCC3)cnc2C)s1
InChIInChI=1S/C30H41N7O3S/c1-4-5-10-23(30-36(3)12-9-16-40-30)26-20-34-29(41-26)24(18-31)28(39)35-25-17-22(19-33-21(25)2)27(38)32-11-15-37-13-7-6-8-14-37/h5,10,17-20H,4,6-9,11-16,31H2,1-3H3,(H,32,38)(H,35,39)/b10-5+,24-18-,30-23-
InChIKeyQQAFCBPOAPNGNV-QGUGXKHTSA-N
XLogP3.99
TPSA125.71 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500579.77
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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-(2-piperidin-1-ylethyl)pyridine-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-(2-piperidin-1-ylethyl)pyridine-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-(2-piperidin-1-ylethyl)pyridine-3-carboxamide (CID 170635901) 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-(2-piperidin-1-ylethyl)pyridine-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-(2-piperidin-1-ylethyl)pyridine-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-(2-piperidin-1-ylethyl)pyridine-3-carboxamide is CC/C=C/C(=C1/OCCCN1C)c1cnc(/C(=C\N)C(=O)Nc2cc(C(=O)NCCN3CCCCC3)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-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
The InChIKey is QQAFCBPOAPNGNV-QGUGXKHTSA-N. The full InChI is InChI=1S/C30H41N7O3S/c1-4-5-10-23(30-36(3)12-9-16-40-30)26-20-34-29(41-26)24(18-31)28(39)35-25-17-22(19-33-21(25)2)27(38)32-11-15-37-13-7-6-8-14-37/h5,10,17-20H,4,6-9,11-16,31H2,1-3H3,(H,32,38)(H,35,39)/b10-5+,24-18-,30-23-.
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-(2-piperidin-1-ylethyl)pyridine-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-(2-piperidin-1-ylethyl)pyridine-3-carboxamide has a molecular weight of 579.77 g/mol, XLogP of 3.99, 10 rotatable bonds, 3 hydrogen bond donors, and 9 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-(2-piperidin-1-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 170635901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).