N-[(2S)-1-(dimethylamino)-3-hydroxypropan-2-yl]-4-methoxypyrido[4,3-a]phenazine-11-carboxamide

C22H23N5O3 — CID 10272634

IUPACN-[(2S)-1-(dimethylamino)-3-hydroxypropan-2-yl]-4-methoxypyrido[4,3-a]phenazine-11-carboxamide
SMILESCOc1nccc2c1ccc1nc3cccc(C(=O)N[C@H](CO)CN(C)C)c3nc12
InChIInChI=1S/C22H23N5O3/c1-27(2)11-13(12-28)24-21(29)16-5-4-6-17-20(16)26-19-14-9-10-23-22(30-3)15(14)7-8-18(19)25-17/h4-10,13,28H,11-12H2,1-3H3,(H,24,29)/t13-/m0/s1
InChIKeyNTJLQTOGURDRRP-ZDUSSCGKSA-N
MW405.46 g/mol
LogP1.99
Rot. Bonds6

About N-[(2S)-1-(dimethylamino)-3-hydroxypropan-2-yl]-4-methoxypyrido[4,3-a]phenazine-11-carboxamide

N-[(2S)-1-(dimethylamino)-3-hydroxypropan-2-yl]-4-methoxypyrido[4,3-a]phenazine-11-carboxamide (PubChem CID 10272634) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is N-[(2S)-1-(dimethylamino)-3-hydroxypropan-2-yl]-4-methoxypyrido[4,3-a]phenazine-11-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(dimethylamino)-3-hydroxypropan-2-yl]-4-methoxypyrido[4,3-a]phenazine-11-carboxamide
PubChem CID10272634
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC NameN-[(2S)-1-(dimethylamino)-3-hydroxypropan-2-yl]-4-methoxypyrido[4,3-a]phenazine-11-carboxamide
SMILESCOc1nccc2c1ccc1nc3cccc(C(=O)N[C@H](CO)CN(C)C)c3nc12
InChIInChI=1S/C22H23N5O3/c1-27(2)11-13(12-28)24-21(29)16-5-4-6-17-20(16)26-19-14-9-10-23-22(30-3)15(14)7-8-18(19)25-17/h4-10,13,28H,11-12H2,1-3H3,(H,24,29)/t13-/m0/s1
InChIKeyNTJLQTOGURDRRP-ZDUSSCGKSA-N
XLogP1.99
TPSA100.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(dimethylamino)-3-hydroxypropan-2-yl]-4-methoxypyrido[4,3-a]phenazine-11-carboxamide?
The IUPAC name of N-[(2S)-1-(dimethylamino)-3-hydroxypropan-2-yl]-4-methoxypyrido[4,3-a]phenazine-11-carboxamide (CID 10272634) is N-[(2S)-1-(dimethylamino)-3-hydroxypropan-2-yl]-4-methoxypyrido[4,3-a]phenazine-11-carboxamide.
What is the SMILES notation for N-[(2S)-1-(dimethylamino)-3-hydroxypropan-2-yl]-4-methoxypyrido[4,3-a]phenazine-11-carboxamide?
The canonical SMILES for N-[(2S)-1-(dimethylamino)-3-hydroxypropan-2-yl]-4-methoxypyrido[4,3-a]phenazine-11-carboxamide is COc1nccc2c1ccc1nc3cccc(C(=O)N[C@H](CO)CN(C)C)c3nc12.
What is the InChIKey of N-[(2S)-1-(dimethylamino)-3-hydroxypropan-2-yl]-4-methoxypyrido[4,3-a]phenazine-11-carboxamide?
The InChIKey is NTJLQTOGURDRRP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-27(2)11-13(12-28)24-21(29)16-5-4-6-17-20(16)26-19-14-9-10-23-22(30-3)15(14)7-8-18(19)25-17/h4-10,13,28H,11-12H2,1-3H3,(H,24,29)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-(dimethylamino)-3-hydroxypropan-2-yl]-4-methoxypyrido[4,3-a]phenazine-11-carboxamide?
N-[(2S)-1-(dimethylamino)-3-hydroxypropan-2-yl]-4-methoxypyrido[4,3-a]phenazine-11-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(dimethylamino)-3-hydroxypropan-2-yl]-4-methoxypyrido[4,3-a]phenazine-11-carboxamide is sourced from PubChem (CID 10272634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).