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

C30H34N6O — CID 177353877

IUPACN,N,3-trimethyl-4-[1-[[1-methyl-4-[5-(methylamino)-2-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide
SMILESCNc1ccc(-c2ccnc3c2cc(CN2CC=C(c4ccc(C(=O)N(C)C)cc4C)CC2)n3C)nc1
InChIInChI=1S/C30H34N6O/c1-20-16-22(30(37)34(3)4)6-8-25(20)21-11-14-36(15-12-21)19-24-17-27-26(10-13-32-29(27)35(24)5)28-9-7-23(31-2)18-33-28/h6-11,13,16-18,31H,12,14-15,19H2,1-5H3
InChIKeySBAKNBBPAOELFD-UHFFFAOYSA-N
MW494.64 g/mol
LogP4.98
Rot. Bonds6

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

N,N,3-trimethyl-4-[1-[[1-methyl-4-[5-(methylamino)-2-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide (PubChem CID 177353877) has the molecular formula C30H34N6O and a molecular weight of 494.64 g/mol. Its IUPAC name is N,N,3-trimethyl-4-[1-[[1-methyl-4-[5-(methylamino)-2-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide.

Molecular Properties

Compound NameN,N,3-trimethyl-4-[1-[[1-methyl-4-[5-(methylamino)-2-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide
PubChem CID177353877
Molecular FormulaC30H34N6O
Molecular Weight494.64 g/mol
Exact Mass494.28
IUPAC NameN,N,3-trimethyl-4-[1-[[1-methyl-4-[5-(methylamino)-2-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide
SMILESCNc1ccc(-c2ccnc3c2cc(CN2CC=C(c4ccc(C(=O)N(C)C)cc4C)CC2)n3C)nc1
InChIInChI=1S/C30H34N6O/c1-20-16-22(30(37)34(3)4)6-8-25(20)21-11-14-36(15-12-21)19-24-17-27-26(10-13-32-29(27)35(24)5)28-9-7-23(31-2)18-33-28/h6-11,13,16-18,31H,12,14-15,19H2,1-5H3
InChIKeySBAKNBBPAOELFD-UHFFFAOYSA-N
XLogP4.98
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.64
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethyl-4-[1-[[1-methyl-4-[5-(methylamino)-2-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide?
The IUPAC name of N,N,3-trimethyl-4-[1-[[1-methyl-4-[5-(methylamino)-2-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide (CID 177353877) is N,N,3-trimethyl-4-[1-[[1-methyl-4-[5-(methylamino)-2-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide.
What is the SMILES notation for N,N,3-trimethyl-4-[1-[[1-methyl-4-[5-(methylamino)-2-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide?
The canonical SMILES for N,N,3-trimethyl-4-[1-[[1-methyl-4-[5-(methylamino)-2-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide is CNc1ccc(-c2ccnc3c2cc(CN2CC=C(c4ccc(C(=O)N(C)C)cc4C)CC2)n3C)nc1.
What is the InChIKey of N,N,3-trimethyl-4-[1-[[1-methyl-4-[5-(methylamino)-2-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide?
The InChIKey is SBAKNBBPAOELFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6O/c1-20-16-22(30(37)34(3)4)6-8-25(20)21-11-14-36(15-12-21)19-24-17-27-26(10-13-32-29(27)35(24)5)28-9-7-23(31-2)18-33-28/h6-11,13,16-18,31H,12,14-15,19H2,1-5H3.
What are the key properties of N,N,3-trimethyl-4-[1-[[1-methyl-4-[5-(methylamino)-2-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide?
N,N,3-trimethyl-4-[1-[[1-methyl-4-[5-(methylamino)-2-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide has a molecular weight of 494.64 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethyl-4-[1-[[1-methyl-4-[5-(methylamino)-2-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide is sourced from PubChem (CID 177353877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).