N-[[(2R)-4-benzylmorpholin-4-ium-2-yl]methyl]-6-morpholin-4-ylpyridin-1-ium-3-carboxamide

C22H30N4O3+2 — CID 7221705

IUPACN-[[(2R)-4-benzylmorpholin-4-ium-2-yl]methyl]-6-morpholin-4-ylpyridin-1-ium-3-carboxamide
SMILESO=C(NC[C@@H]1C[NH+](Cc2ccccc2)CCO1)c1ccc(N2CCOCC2)[nH+]c1
InChIInChI=1S/C22H28N4O3/c27-22(19-6-7-21(23-14-19)26-9-11-28-12-10-26)24-15-20-17-25(8-13-29-20)16-18-4-2-1-3-5-18/h1-7,14,20H,8-13,15-17H2,(H,24,27)/p+2/t20-/m1/s1
InChIKeyYPPOMKOXHOQTCK-HXUWFJFHSA-P
MW398.51 g/mol
LogP-0.45
Rot. Bonds6

About N-[[(2R)-4-benzylmorpholin-4-ium-2-yl]methyl]-6-morpholin-4-ylpyridin-1-ium-3-carboxamide

N-[[(2R)-4-benzylmorpholin-4-ium-2-yl]methyl]-6-morpholin-4-ylpyridin-1-ium-3-carboxamide (PubChem CID 7221705) has the molecular formula C22H30N4O3+2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[[(2R)-4-benzylmorpholin-4-ium-2-yl]methyl]-6-morpholin-4-ylpyridin-1-ium-3-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-4-benzylmorpholin-4-ium-2-yl]methyl]-6-morpholin-4-ylpyridin-1-ium-3-carboxamide
PubChem CID7221705
Molecular FormulaC22H30N4O3+2
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC NameN-[[(2R)-4-benzylmorpholin-4-ium-2-yl]methyl]-6-morpholin-4-ylpyridin-1-ium-3-carboxamide
SMILESO=C(NC[C@@H]1C[NH+](Cc2ccccc2)CCO1)c1ccc(N2CCOCC2)[nH+]c1
InChIInChI=1S/C22H28N4O3/c27-22(19-6-7-21(23-14-19)26-9-11-28-12-10-26)24-15-20-17-25(8-13-29-20)16-18-4-2-1-3-5-18/h1-7,14,20H,8-13,15-17H2,(H,24,27)/p+2/t20-/m1/s1
InChIKeyYPPOMKOXHOQTCK-HXUWFJFHSA-P
XLogP-0.45
TPSA69.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[(2R)-4-benzylmorpholin-4-ium-2-yl]methyl]-6-morpholin-4-ylpyridin-1-ium-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[[(2S)-oxolan-2-yl]methyl]-6-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide
CID 7130464
6-(4-methylpiperidin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]pyridin-1-ium-3-carboxamide
CID 7130482
4-(morpholin-4-ium-4-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 6946389
N-[[(2S)-4-benzylmorpholin-4-ium-2-yl]methyl]-9H-xanthene-9-carboxamide
CID 8504065
N-(1-benzothiophen-2-ylmethyl)-6-morpholin-4-ylpyridin-1-ium-3-carboxamide
CID 6976162
N-benzyl-4-(morpholin-4-ium-4-ylmethyl)benzamide
CID 7460088
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[(2R)-4-benzylmorpholin-4-ium-2-yl]methyl]acetamide
CID 8006465
N-[(4-benzylmorpholin-4-ium-2-yl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide;2,2,2-trifluoroacetate
CID 87352971
6-morpholin-4-ylpyridin-1-ium-3-carboxamide
CID 6992898
N-[[(2S)-4-benzylmorpholin-4-ium-2-yl]methyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 8504089
N-[(4-benzylmorpholin-2-yl)methyl]-4-fluorobenzamide
CID 46522835
N-[[4-(2-phenylethyl)morpholin-2-yl]methyl]benzamide
CID 90904746

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-4-benzylmorpholin-4-ium-2-yl]methyl]-6-morpholin-4-ylpyridin-1-ium-3-carboxamide?
The IUPAC name of N-[[(2R)-4-benzylmorpholin-4-ium-2-yl]methyl]-6-morpholin-4-ylpyridin-1-ium-3-carboxamide (CID 7221705) is N-[[(2R)-4-benzylmorpholin-4-ium-2-yl]methyl]-6-morpholin-4-ylpyridin-1-ium-3-carboxamide.
What is the SMILES notation for N-[[(2R)-4-benzylmorpholin-4-ium-2-yl]methyl]-6-morpholin-4-ylpyridin-1-ium-3-carboxamide?
The canonical SMILES for N-[[(2R)-4-benzylmorpholin-4-ium-2-yl]methyl]-6-morpholin-4-ylpyridin-1-ium-3-carboxamide is O=C(NC[C@@H]1C[NH+](Cc2ccccc2)CCO1)c1ccc(N2CCOCC2)[nH+]c1.
What is the InChIKey of N-[[(2R)-4-benzylmorpholin-4-ium-2-yl]methyl]-6-morpholin-4-ylpyridin-1-ium-3-carboxamide?
The InChIKey is YPPOMKOXHOQTCK-HXUWFJFHSA-P. The full InChI is InChI=1S/C22H28N4O3/c27-22(19-6-7-21(23-14-19)26-9-11-28-12-10-26)24-15-20-17-25(8-13-29-20)16-18-4-2-1-3-5-18/h1-7,14,20H,8-13,15-17H2,(H,24,27)/p+2/t20-/m1/s1.
What are the key properties of N-[[(2R)-4-benzylmorpholin-4-ium-2-yl]methyl]-6-morpholin-4-ylpyridin-1-ium-3-carboxamide?
N-[[(2R)-4-benzylmorpholin-4-ium-2-yl]methyl]-6-morpholin-4-ylpyridin-1-ium-3-carboxamide has a molecular weight of 398.51 g/mol, XLogP of -0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-4-benzylmorpholin-4-ium-2-yl]methyl]-6-morpholin-4-ylpyridin-1-ium-3-carboxamide is sourced from PubChem (CID 7221705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).