N,N-dimethyl-1-[5-(6-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide

C23H23N5O — CID 118659828

IUPACN,N-dimethyl-1-[5-(6-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
SMILESCc1cccc(-c2cnc(N3CC4(CC4)c4ccc(C(=O)N(C)C)cc43)nc2)n1
InChIInChI=1S/C23H23N5O/c1-15-5-4-6-19(26-15)17-12-24-22(25-13-17)28-14-23(9-10-23)18-8-7-16(11-20(18)28)21(29)27(2)3/h4-8,11-13H,9-10,14H2,1-3H3
InChIKeyPTGCZGHZJPANOH-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.73
Rot. Bonds3

About N,N-dimethyl-1-[5-(6-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide

N,N-dimethyl-1-[5-(6-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide (PubChem CID 118659828) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is N,N-dimethyl-1-[5-(6-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[5-(6-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
PubChem CID118659828
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC NameN,N-dimethyl-1-[5-(6-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
SMILESCc1cccc(-c2cnc(N3CC4(CC4)c4ccc(C(=O)N(C)C)cc43)nc2)n1
InChIInChI=1S/C23H23N5O/c1-15-5-4-6-19(26-15)17-12-24-22(25-13-17)28-14-23(9-10-23)18-8-7-16(11-20(18)28)21(29)27(2)3/h4-8,11-13H,9-10,14H2,1-3H3
InChIKeyPTGCZGHZJPANOH-UHFFFAOYSA-N
XLogP3.73
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[5-(6-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?
The IUPAC name of N,N-dimethyl-1-[5-(6-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide (CID 118659828) is N,N-dimethyl-1-[5-(6-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-[5-(6-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?
The canonical SMILES for N,N-dimethyl-1-[5-(6-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide is Cc1cccc(-c2cnc(N3CC4(CC4)c4ccc(C(=O)N(C)C)cc43)nc2)n1.
What is the InChIKey of N,N-dimethyl-1-[5-(6-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?
The InChIKey is PTGCZGHZJPANOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-15-5-4-6-19(26-15)17-12-24-22(25-13-17)28-14-23(9-10-23)18-8-7-16(11-20(18)28)21(29)27(2)3/h4-8,11-13H,9-10,14H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[5-(6-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?
N,N-dimethyl-1-[5-(6-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[5-(6-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide is sourced from PubChem (CID 118659828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).