N,N,5-trimethyl-6-[1-[[1-methyl-4-[6-(methylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-3-carboxamide

C29H33N7O — CID 177353596

IUPACN,N,5-trimethyl-6-[1-[[1-methyl-4-[6-(methylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-3-carboxamide
SMILESCNc1ccc(-c2ccnc3c2cc(CN2CC=C(c4ncc(C(=O)N(C)C)cc4C)CC2)n3C)cn1
InChIInChI=1S/C29H33N7O/c1-19-14-22(29(37)34(3)4)17-33-27(19)20-9-12-36(13-10-20)18-23-15-25-24(8-11-31-28(25)35(23)5)21-6-7-26(30-2)32-16-21/h6-9,11,14-17H,10,12-13,18H2,1-5H3,(H,30,32)
InChIKeyFCKMSOKROIOEMA-UHFFFAOYSA-N
MW495.63 g/mol
LogP4.37
Rot. Bonds6

About N,N,5-trimethyl-6-[1-[[1-methyl-4-[6-(methylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-3-carboxamide

N,N,5-trimethyl-6-[1-[[1-methyl-4-[6-(methylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-3-carboxamide (PubChem CID 177353596) has the molecular formula C29H33N7O and a molecular weight of 495.63 g/mol. Its IUPAC name is N,N,5-trimethyl-6-[1-[[1-methyl-4-[6-(methylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N,5-trimethyl-6-[1-[[1-methyl-4-[6-(methylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-3-carboxamide
PubChem CID177353596
Molecular FormulaC29H33N7O
Molecular Weight495.63 g/mol
Exact Mass495.27
IUPAC NameN,N,5-trimethyl-6-[1-[[1-methyl-4-[6-(methylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-3-carboxamide
SMILESCNc1ccc(-c2ccnc3c2cc(CN2CC=C(c4ncc(C(=O)N(C)C)cc4C)CC2)n3C)cn1
InChIInChI=1S/C29H33N7O/c1-19-14-22(29(37)34(3)4)17-33-27(19)20-9-12-36(13-10-20)18-23-15-25-24(8-11-31-28(25)35(23)5)21-6-7-26(30-2)32-16-21/h6-9,11,14-17H,10,12-13,18H2,1-5H3,(H,30,32)
InChIKeyFCKMSOKROIOEMA-UHFFFAOYSA-N
XLogP4.37
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.63
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze N,N,5-trimethyl-6-[1-[[1-methyl-4-[6-(methylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N,5-trimethyl-6-[1-[[1-methyl-4-[6-(methylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N,N,5-trimethyl-6-[1-[[1-methyl-4-[6-(methylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-3-carboxamide (CID 177353596) is N,N,5-trimethyl-6-[1-[[1-methyl-4-[6-(methylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N,N,5-trimethyl-6-[1-[[1-methyl-4-[6-(methylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N,N,5-trimethyl-6-[1-[[1-methyl-4-[6-(methylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-3-carboxamide is CNc1ccc(-c2ccnc3c2cc(CN2CC=C(c4ncc(C(=O)N(C)C)cc4C)CC2)n3C)cn1.
What is the InChIKey of N,N,5-trimethyl-6-[1-[[1-methyl-4-[6-(methylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-3-carboxamide?
The InChIKey is FCKMSOKROIOEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N7O/c1-19-14-22(29(37)34(3)4)17-33-27(19)20-9-12-36(13-10-20)18-23-15-25-24(8-11-31-28(25)35(23)5)21-6-7-26(30-2)32-16-21/h6-9,11,14-17H,10,12-13,18H2,1-5H3,(H,30,32).
What are the key properties of N,N,5-trimethyl-6-[1-[[1-methyl-4-[6-(methylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-3-carboxamide?
N,N,5-trimethyl-6-[1-[[1-methyl-4-[6-(methylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-3-carboxamide has a molecular weight of 495.63 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5-trimethyl-6-[1-[[1-methyl-4-[6-(methylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 177353596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).