N-[(2S)-2-(dimethylamino)propyl]-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide

C23H26N4O — CID 162754842

IUPACN-[(2S)-2-(dimethylamino)propyl]-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide
SMILESCc1c2ccncc2cc2c3cc(C(=O)NC[C@H](C)N(C)C)ccc3n(C)c12
InChIInChI=1S/C23H26N4O/c1-14(26(3)4)12-25-23(28)16-6-7-21-19(10-16)20-11-17-13-24-9-8-18(17)15(2)22(20)27(21)5/h6-11,13-14H,12H2,1-5H3,(H,25,28)/t14-/m0/s1
InChIKeyCTYDRVGCOSMMRJ-AWEZNQCLSA-N
MW374.49 g/mol
LogP3.87
Rot. Bonds4

About N-[(2S)-2-(dimethylamino)propyl]-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide

N-[(2S)-2-(dimethylamino)propyl]-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide (PubChem CID 162754842) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)propyl]-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)propyl]-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide
PubChem CID162754842
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-[(2S)-2-(dimethylamino)propyl]-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide
SMILESCc1c2ccncc2cc2c3cc(C(=O)NC[C@H](C)N(C)C)ccc3n(C)c12
InChIInChI=1S/C23H26N4O/c1-14(26(3)4)12-25-23(28)16-6-7-21-19(10-16)20-11-17-13-24-9-8-18(17)15(2)22(20)27(21)5/h6-11,13-14H,12H2,1-5H3,(H,25,28)/t14-/m0/s1
InChIKeyCTYDRVGCOSMMRJ-AWEZNQCLSA-N
XLogP3.87
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide
CID 162755179
N,N,5,6-tetramethylpyrido[4,3-b]carbazole-9-carboxamide
CID 162755125
N-[(2S)-1-hydroxypropan-2-yl]-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide
CID 162755186
tert-butyl N-[(2S)-1-[(5,6-dimethylpyrido[4,3-b]carbazole-9-carbonyl)amino]propan-2-yl]carbamate
CID 162754954
N-[(2S)-1-methoxypropan-2-yl]-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide
CID 162755054
(2S)-1-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxy-N-methylpropan-2-amine
CID 162754821
5,6-dimethyl-9-pyridin-4-yloxypyrido[4,3-b]carbazole
CID 162755227
N-[2-(dimethylamino)propyl]-4-(ethylamino)-3-methylbenzamide
CID 63213540
ethyl 5,6,11-trimethylpyrido[4,3-b]carbazole-9-carboxylate
CID 156597825
N-[2-(dimethylamino)propyl]-3-hydrazinylpyridine-4-carboxamide
CID 105071837
N-[2-(dimethylamino)propyl]-6-(methylamino)pyridine-3-carboxamide
CID 62175314
2-amino-N-[2-(dimethylamino)propyl]pyridine-4-carboxamide
CID 62161100

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)propyl]-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)propyl]-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide (CID 162754842) is N-[(2S)-2-(dimethylamino)propyl]-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)propyl]-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)propyl]-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide is Cc1c2ccncc2cc2c3cc(C(=O)NC[C@H](C)N(C)C)ccc3n(C)c12.
What is the InChIKey of N-[(2S)-2-(dimethylamino)propyl]-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide?
The InChIKey is CTYDRVGCOSMMRJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H26N4O/c1-14(26(3)4)12-25-23(28)16-6-7-21-19(10-16)20-11-17-13-24-9-8-18(17)15(2)22(20)27(21)5/h6-11,13-14H,12H2,1-5H3,(H,25,28)/t14-/m0/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)propyl]-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide?
N-[(2S)-2-(dimethylamino)propyl]-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)propyl]-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide is sourced from PubChem (CID 162754842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).