N-[(6-amino-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[3-[(dimethylamino)methyl]phenyl]-3-methyl-1-propan-2-ylindole-4-carboxamide

C29H35N5O2 — CID 67468527

IUPACN-[(6-amino-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[3-[(dimethylamino)methyl]phenyl]-3-methyl-1-propan-2-ylindole-4-carboxamide
SMILESCc1cc(N)[nH]c(=O)c1CNC(=O)c1cc(-c2cccc(CN(C)C)c2)cc2c1c(C)cn2C(C)C
InChIInChI=1S/C29H35N5O2/c1-17(2)34-15-19(4)27-23(28(35)31-14-24-18(3)10-26(30)32-29(24)36)12-22(13-25(27)34)21-9-7-8-20(11-21)16-33(5)6/h7-13,15,17H,14,16H2,1-6H3,(H,31,35)(H3,30,32,36)
InChIKeyULJGTYMJYIATHG-UHFFFAOYSA-N
MW485.63 g/mol
LogP4.77
Rot. Bonds7

About N-[(6-amino-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[3-[(dimethylamino)methyl]phenyl]-3-methyl-1-propan-2-ylindole-4-carboxamide

N-[(6-amino-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[3-[(dimethylamino)methyl]phenyl]-3-methyl-1-propan-2-ylindole-4-carboxamide (PubChem CID 67468527) has the molecular formula C29H35N5O2 and a molecular weight of 485.63 g/mol. Its IUPAC name is N-[(6-amino-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[3-[(dimethylamino)methyl]phenyl]-3-methyl-1-propan-2-ylindole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[3-[(dimethylamino)methyl]phenyl]-3-methyl-1-propan-2-ylindole-4-carboxamide
PubChem CID67468527
Molecular FormulaC29H35N5O2
Molecular Weight485.63 g/mol
Exact Mass485.28
IUPAC NameN-[(6-amino-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[3-[(dimethylamino)methyl]phenyl]-3-methyl-1-propan-2-ylindole-4-carboxamide
SMILESCc1cc(N)[nH]c(=O)c1CNC(=O)c1cc(-c2cccc(CN(C)C)c2)cc2c1c(C)cn2C(C)C
InChIInChI=1S/C29H35N5O2/c1-17(2)34-15-19(4)27-23(28(35)31-14-24-18(3)10-26(30)32-29(24)36)12-22(13-25(27)34)21-9-7-8-20(11-21)16-33(5)6/h7-13,15,17H,14,16H2,1-6H3,(H,31,35)(H3,30,32,36)
InChIKeyULJGTYMJYIATHG-UHFFFAOYSA-N
XLogP4.77
TPSA96.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.63
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[3-[(dimethylamino)methyl]phenyl]-3-methyl-1-propan-2-ylindole-4-carboxamide?
The IUPAC name of N-[(6-amino-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[3-[(dimethylamino)methyl]phenyl]-3-methyl-1-propan-2-ylindole-4-carboxamide (CID 67468527) is N-[(6-amino-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[3-[(dimethylamino)methyl]phenyl]-3-methyl-1-propan-2-ylindole-4-carboxamide.
What is the SMILES notation for N-[(6-amino-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[3-[(dimethylamino)methyl]phenyl]-3-methyl-1-propan-2-ylindole-4-carboxamide?
The canonical SMILES for N-[(6-amino-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[3-[(dimethylamino)methyl]phenyl]-3-methyl-1-propan-2-ylindole-4-carboxamide is Cc1cc(N)[nH]c(=O)c1CNC(=O)c1cc(-c2cccc(CN(C)C)c2)cc2c1c(C)cn2C(C)C.
What is the InChIKey of N-[(6-amino-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[3-[(dimethylamino)methyl]phenyl]-3-methyl-1-propan-2-ylindole-4-carboxamide?
The InChIKey is ULJGTYMJYIATHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O2/c1-17(2)34-15-19(4)27-23(28(35)31-14-24-18(3)10-26(30)32-29(24)36)12-22(13-25(27)34)21-9-7-8-20(11-21)16-33(5)6/h7-13,15,17H,14,16H2,1-6H3,(H,31,35)(H3,30,32,36).
What are the key properties of N-[(6-amino-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[3-[(dimethylamino)methyl]phenyl]-3-methyl-1-propan-2-ylindole-4-carboxamide?
N-[(6-amino-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[3-[(dimethylamino)methyl]phenyl]-3-methyl-1-propan-2-ylindole-4-carboxamide has a molecular weight of 485.63 g/mol, XLogP of 4.77, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[3-[(dimethylamino)methyl]phenyl]-3-methyl-1-propan-2-ylindole-4-carboxamide is sourced from PubChem (CID 67468527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).