N-[2-[1-(dimethylamino)propyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-[ethyl-[2-(methylamino)ethyl]amino]benzamide

C24H34N6O — CID 178056029

IUPACN-[2-[1-(dimethylamino)propyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-[ethyl-[2-(methylamino)ethyl]amino]benzamide
SMILESCCC(c1cc2cnc(NC(=O)c3ccc(N(CC)CCNC)cc3)cc2[nH]1)N(C)C
InChIInChI=1S/C24H34N6O/c1-6-22(29(4)5)21-14-18-16-26-23(15-20(18)27-21)28-24(31)17-8-10-19(11-9-17)30(7-2)13-12-25-3/h8-11,14-16,22,25,27H,6-7,12-13H2,1-5H3,(H,26,28,31)
InChIKeySJHJAZLNXLMQIA-UHFFFAOYSA-N
MW422.58 g/mol
LogP3.87
Rot. Bonds10

About N-[2-[1-(dimethylamino)propyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-[ethyl-[2-(methylamino)ethyl]amino]benzamide

N-[2-[1-(dimethylamino)propyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-[ethyl-[2-(methylamino)ethyl]amino]benzamide (PubChem CID 178056029) has the molecular formula C24H34N6O and a molecular weight of 422.58 g/mol. Its IUPAC name is N-[2-[1-(dimethylamino)propyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-[ethyl-[2-(methylamino)ethyl]amino]benzamide.

Molecular Properties

Compound NameN-[2-[1-(dimethylamino)propyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-[ethyl-[2-(methylamino)ethyl]amino]benzamide
PubChem CID178056029
Molecular FormulaC24H34N6O
Molecular Weight422.58 g/mol
Exact Mass422.28
IUPAC NameN-[2-[1-(dimethylamino)propyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-[ethyl-[2-(methylamino)ethyl]amino]benzamide
SMILESCCC(c1cc2cnc(NC(=O)c3ccc(N(CC)CCNC)cc3)cc2[nH]1)N(C)C
InChIInChI=1S/C24H34N6O/c1-6-22(29(4)5)21-14-18-16-26-23(15-20(18)27-21)28-24(31)17-8-10-19(11-9-17)30(7-2)13-12-25-3/h8-11,14-16,22,25,27H,6-7,12-13H2,1-5H3,(H,26,28,31)
InChIKeySJHJAZLNXLMQIA-UHFFFAOYSA-N
XLogP3.87
TPSA76.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.58
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(dimethylamino)propyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-[ethyl-[2-(methylamino)ethyl]amino]benzamide?
The IUPAC name of N-[2-[1-(dimethylamino)propyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-[ethyl-[2-(methylamino)ethyl]amino]benzamide (CID 178056029) is N-[2-[1-(dimethylamino)propyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-[ethyl-[2-(methylamino)ethyl]amino]benzamide.
What is the SMILES notation for N-[2-[1-(dimethylamino)propyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-[ethyl-[2-(methylamino)ethyl]amino]benzamide?
The canonical SMILES for N-[2-[1-(dimethylamino)propyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-[ethyl-[2-(methylamino)ethyl]amino]benzamide is CCC(c1cc2cnc(NC(=O)c3ccc(N(CC)CCNC)cc3)cc2[nH]1)N(C)C.
What is the InChIKey of N-[2-[1-(dimethylamino)propyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-[ethyl-[2-(methylamino)ethyl]amino]benzamide?
The InChIKey is SJHJAZLNXLMQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O/c1-6-22(29(4)5)21-14-18-16-26-23(15-20(18)27-21)28-24(31)17-8-10-19(11-9-17)30(7-2)13-12-25-3/h8-11,14-16,22,25,27H,6-7,12-13H2,1-5H3,(H,26,28,31).
What are the key properties of N-[2-[1-(dimethylamino)propyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-[ethyl-[2-(methylamino)ethyl]amino]benzamide?
N-[2-[1-(dimethylamino)propyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-[ethyl-[2-(methylamino)ethyl]amino]benzamide has a molecular weight of 422.58 g/mol, XLogP of 3.87, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(dimethylamino)propyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-[ethyl-[2-(methylamino)ethyl]amino]benzamide is sourced from PubChem (CID 178056029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).