N-(cyclopropylmethyl)-2-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)cyclohexyl]acetamide

C22H26N4O — CID 137140876

IUPACN-(cyclopropylmethyl)-2-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)cyclohexyl]acetamide
SMILESO=C(CC1CCC(c2cnc3ncc4[nH]cccc4c23)CC1)NCC1CC1
InChIInChI=1S/C22H26N4O/c27-20(24-11-15-3-4-15)10-14-5-7-16(8-6-14)18-12-25-22-21(18)17-2-1-9-23-19(17)13-26-22/h1-2,9,12-16,23H,3-8,10-11H2,(H,24,27)
InChIKeyYSYGAKLWMSORCD-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.30
Rot. Bonds5

About N-(cyclopropylmethyl)-2-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)cyclohexyl]acetamide

N-(cyclopropylmethyl)-2-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)cyclohexyl]acetamide (PubChem CID 137140876) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)cyclohexyl]acetamide
PubChem CID137140876
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC NameN-(cyclopropylmethyl)-2-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)cyclohexyl]acetamide
SMILESO=C(CC1CCC(c2cnc3ncc4[nH]cccc4c23)CC1)NCC1CC1
InChIInChI=1S/C22H26N4O/c27-20(24-11-15-3-4-15)10-14-5-7-16(8-6-14)18-12-25-22-21(18)17-2-1-9-23-19(17)13-26-22/h1-2,9,12-16,23H,3-8,10-11H2,(H,24,27)
InChIKeyYSYGAKLWMSORCD-UHFFFAOYSA-N
XLogP4.30
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)cyclohexyl]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)cyclohexyl]acetamide (CID 137140876) is N-(cyclopropylmethyl)-2-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)cyclohexyl]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)cyclohexyl]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)cyclohexyl]acetamide is O=C(CC1CCC(c2cnc3ncc4[nH]cccc4c23)CC1)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)cyclohexyl]acetamide?
The InChIKey is YSYGAKLWMSORCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c27-20(24-11-15-3-4-15)10-14-5-7-16(8-6-14)18-12-25-22-21(18)17-2-1-9-23-19(17)13-26-22/h1-2,9,12-16,23H,3-8,10-11H2,(H,24,27).
What are the key properties of N-(cyclopropylmethyl)-2-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)cyclohexyl]acetamide?
N-(cyclopropylmethyl)-2-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)cyclohexyl]acetamide has a molecular weight of 362.48 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)cyclohexyl]acetamide is sourced from PubChem (CID 137140876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).