N-[2-chloro-4-[3-hydroxy-6-methyl-2-[2-(7-methyl-5-azaspiro[2.4]heptan-5-yl)-4-pyridinyl]-4-pyridinyl]phenyl]-N-[(Z)-2-(dimethylamino)ethenyl]formamide

About N-[2-chloro-4-[3-hydroxy-6-methyl-2-[2-(7-methyl-5-azaspiro[2.4]heptan-5-yl)-4-pyridinyl]-4-pyridinyl]phenyl]-N-[(Z)-2-(dimethylamino)ethenyl]formamide

N-[2-chloro-4-[3-hydroxy-6-methyl-2-[2-(7-methyl-5-azaspiro[2.4]heptan-5-yl)-4-pyridinyl]-4-pyridinyl]phenyl]-N-[(Z)-2-(dimethylamino)ethenyl]formamide (PubChem CID 166166857) has the molecular formula C29H32ClN5O2 and a molecular weight of 518.06 g/mol. Its IUPAC name is N-[2-chloro-4-[3-hydroxy-6-methyl-2-[2-(7-methyl-5-azaspiro[2.4]heptan-5-yl)-4-pyridinyl]-4-pyridinyl]phenyl]-N-[(Z)-2-(dimethylamino)ethenyl]formamide.

Molecular Properties

Compound Name	N-[2-chloro-4-[3-hydroxy-6-methyl-2-[2-(7-methyl-5-azaspiro[2.4]heptan-5-yl)-4-pyridinyl]-4-pyridinyl]phenyl]-N-[(Z)-2-(dimethylamino)ethenyl]formamide
PubChem CID	166166857
Molecular Formula	C29H32ClN5O2
Molecular Weight	518.06 g/mol
Exact Mass	517.22
IUPAC Name	N-[2-chloro-4-[3-hydroxy-6-methyl-2-[2-(7-methyl-5-azaspiro[2.4]heptan-5-yl)-4-pyridinyl]-4-pyridinyl]phenyl]-N-[(Z)-2-(dimethylamino)ethenyl]formamide
SMILES	Cc1cc(-c2ccc(N(C=O)/C=C\N(C)C)c(Cl)c2)c(O)c(-c2ccnc(N3CC(C)C4(CC4)C3)c2)n1
InChI	InChI=1S/C29H32ClN5O2/c1-19-16-35(17-29(19)8-9-29)26-15-22(7-10-31-26)27-28(37)23(13-20(2)32-27)21-5-6-25(24(30)14-21)34(18-36)12-11-33(3)4/h5-7,10-15,18-19,37H,8-9,16-17H2,1-4H3/b12-11-
InChIKey	NGTVGBYVEDJNCP-QXMHVHEDSA-N
XLogP	5.71
TPSA	72.80 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	7
Heavy Atoms	37
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.06
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[3-hydroxy-6-methyl-2-[2-(7-methyl-5-azaspiro[2.4]heptan-5-yl)-4-pyridinyl]-4-pyridinyl]phenyl]-N-[(Z)-2-(dimethylamino)ethenyl]formamide?

The IUPAC name of N-[2-chloro-4-[3-hydroxy-6-methyl-2-[2-(7-methyl-5-azaspiro[2.4]heptan-5-yl)-4-pyridinyl]-4-pyridinyl]phenyl]-N-[(Z)-2-(dimethylamino)ethenyl]formamide (CID 166166857) is N-[2-chloro-4-[3-hydroxy-6-methyl-2-[2-(7-methyl-5-azaspiro[2.4]heptan-5-yl)-4-pyridinyl]-4-pyridinyl]phenyl]-N-[(Z)-2-(dimethylamino)ethenyl]formamide.

What is the SMILES notation for N-[2-chloro-4-[3-hydroxy-6-methyl-2-[2-(7-methyl-5-azaspiro[2.4]heptan-5-yl)-4-pyridinyl]-4-pyridinyl]phenyl]-N-[(Z)-2-(dimethylamino)ethenyl]formamide?

The canonical SMILES for N-[2-chloro-4-[3-hydroxy-6-methyl-2-[2-(7-methyl-5-azaspiro[2.4]heptan-5-yl)-4-pyridinyl]-4-pyridinyl]phenyl]-N-[(Z)-2-(dimethylamino)ethenyl]formamide is Cc1cc(-c2ccc(N(C=O)/C=C\N(C)C)c(Cl)c2)c(O)c(-c2ccnc(N3CC(C)C4(CC4)C3)c2)n1.

What is the InChIKey of N-[2-chloro-4-[3-hydroxy-6-methyl-2-[2-(7-methyl-5-azaspiro[2.4]heptan-5-yl)-4-pyridinyl]-4-pyridinyl]phenyl]-N-[(Z)-2-(dimethylamino)ethenyl]formamide?

The InChIKey is NGTVGBYVEDJNCP-QXMHVHEDSA-N. The full InChI is InChI=1S/C29H32ClN5O2/c1-19-16-35(17-29(19)8-9-29)26-15-22(7-10-31-26)27-28(37)23(13-20(2)32-27)21-5-6-25(24(30)14-21)34(18-36)12-11-33(3)4/h5-7,10-15,18-19,37H,8-9,16-17H2,1-4H3/b12-11-.

What are the key properties of N-[2-chloro-4-[3-hydroxy-6-methyl-2-[2-(7-methyl-5-azaspiro[2.4]heptan-5-yl)-4-pyridinyl]-4-pyridinyl]phenyl]-N-[(Z)-2-(dimethylamino)ethenyl]formamide?

N-[2-chloro-4-[3-hydroxy-6-methyl-2-[2-(7-methyl-5-azaspiro[2.4]heptan-5-yl)-4-pyridinyl]-4-pyridinyl]phenyl]-N-[(Z)-2-(dimethylamino)ethenyl]formamide has a molecular weight of 518.06 g/mol, XLogP of 5.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-4-[3-hydroxy-6-methyl-2-[2-(7-methyl-5-azaspiro[2.4]heptan-5-yl)-4-pyridinyl]-4-pyridinyl]phenyl]-N-[(Z)-2-(dimethylamino)ethenyl]formamide is sourced from PubChem (CID 166166857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).