N-[2-(dimethylamino)ethyl]-5-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)pyridine-2-carboxamide

C25H28N6O — CID 177299967

IUPACN-[2-(dimethylamino)ethyl]-5-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)pyridine-2-carboxamide
SMILESCc1[nH]nc2ccc3nc(-c4ccc(C(=O)NCCN(C)C)nc4)c4c(c3c12)CCCC4
InChIInChI=1S/C25H28N6O/c1-15-22-20(30-29-15)11-10-19-23(22)17-6-4-5-7-18(17)24(28-19)16-8-9-21(27-14-16)25(32)26-12-13-31(2)3/h8-11,14H,4-7,12-13H2,1-3H3,(H,26,32)(H,29,30)
InChIKeyVCHRGJGGFGXOHX-UHFFFAOYSA-N
MW428.54 g/mol
LogP3.65
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-5-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)pyridine-2-carboxamide

N-[2-(dimethylamino)ethyl]-5-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)pyridine-2-carboxamide (PubChem CID 177299967) has the molecular formula C25H28N6O and a molecular weight of 428.54 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-5-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-5-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)pyridine-2-carboxamide
PubChem CID177299967
Molecular FormulaC25H28N6O
Molecular Weight428.54 g/mol
Exact Mass428.23
IUPAC NameN-[2-(dimethylamino)ethyl]-5-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)pyridine-2-carboxamide
SMILESCc1[nH]nc2ccc3nc(-c4ccc(C(=O)NCCN(C)C)nc4)c4c(c3c12)CCCC4
InChIInChI=1S/C25H28N6O/c1-15-22-20(30-29-15)11-10-19-23(22)17-6-4-5-7-18(17)24(28-19)16-8-9-21(27-14-16)25(32)26-12-13-31(2)3/h8-11,14H,4-7,12-13H2,1-3H3,(H,26,32)(H,29,30)
InChIKeyVCHRGJGGFGXOHX-UHFFFAOYSA-N
XLogP3.65
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)ethyl]-6-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)pyridine-3-carboxamide
CID 177299934
N-[2-(dimethylamino)ethyl]-5-(5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)pyridine-2-carboxamide
CID 177299839
N-[2-(dimethylamino)ethyl]-6-(5-fluoro-1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)pyridine-3-carboxamide
CID 177299929
N-[2-(dimethylamino)ethyl]-4-[1-(2-pyridin-4-ylethynyl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl]benzamide
CID 177299904
N-[2-(dimethylamino)ethyl]-4-[17-(2-pyridin-4-ylethynyl)-10,15,16-triazatetracyclo[9.7.0.02,8.014,18]octadeca-1(11),2(8),9,12,14,17-hexaen-9-yl]benzamide
CID 177299982
4-[1-[2-(dimethylamino)ethylamino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol
CID 155151706
N-[2-(dimethylamino)ethyl]-3-fluoro-4-(5-methyl-6,7,12-triazapentacyclo[13.2.1.02,14.03,11.04,8]octadeca-2(14),3(11),4,7,9,12-hexaen-13-yl)benzamide
CID 177299878
N-[2-(dimethylamino)ethyl]-4-[8,9-dimethyl-1-(2-pyridin-4-ylethynyl)-2H-pyrazolo[4,3-f]quinolin-7-yl]benzamide
CID 177299962
5-(cycloheptylamino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
CID 109185339
N',N'-dimethyl-N-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethane-1,2-diamine
CID 155151627
N-(2-pyrrolidin-1-ylethyl)-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzamide
CID 171365058
N-[2-(dimethylamino)ethyl]-6-fluoroquinoline-2-carboxamide
CID 110464430

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-5-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)pyridine-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-5-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)pyridine-2-carboxamide (CID 177299967) is N-[2-(dimethylamino)ethyl]-5-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-5-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-5-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)pyridine-2-carboxamide is Cc1[nH]nc2ccc3nc(-c4ccc(C(=O)NCCN(C)C)nc4)c4c(c3c12)CCCC4.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-5-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)pyridine-2-carboxamide?
The InChIKey is VCHRGJGGFGXOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O/c1-15-22-20(30-29-15)11-10-19-23(22)17-6-4-5-7-18(17)24(28-19)16-8-9-21(27-14-16)25(32)26-12-13-31(2)3/h8-11,14H,4-7,12-13H2,1-3H3,(H,26,32)(H,29,30).
What are the key properties of N-[2-(dimethylamino)ethyl]-5-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)pyridine-2-carboxamide?
N-[2-(dimethylamino)ethyl]-5-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)pyridine-2-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-5-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)pyridine-2-carboxamide is sourced from PubChem (CID 177299967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).