4-(cyclopropylcarbamoylamino)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide

C23H29N5O3 — CID 55839328

IUPAC4-(cyclopropylcarbamoylamino)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide
SMILESCC1CN(c2ccc(CNC(=O)c3ccc(NC(=O)NC4CC4)cc3)cn2)CC(C)O1
InChIInChI=1S/C23H29N5O3/c1-15-13-28(14-16(2)31-15)21-10-3-17(11-24-21)12-25-22(29)18-4-6-19(7-5-18)26-23(30)27-20-8-9-20/h3-7,10-11,15-16,20H,8-9,12-14H2,1-2H3,(H,25,29)(H2,26,27,30)
InChIKeyUWWLBFVOTRCPTN-UHFFFAOYSA-N
MW423.52 g/mol
LogP2.91
Rot. Bonds6

About 4-(cyclopropylcarbamoylamino)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide

4-(cyclopropylcarbamoylamino)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide (PubChem CID 55839328) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is 4-(cyclopropylcarbamoylamino)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name4-(cyclopropylcarbamoylamino)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide
PubChem CID55839328
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC Name4-(cyclopropylcarbamoylamino)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide
SMILESCC1CN(c2ccc(CNC(=O)c3ccc(NC(=O)NC4CC4)cc3)cn2)CC(C)O1
InChIInChI=1S/C23H29N5O3/c1-15-13-28(14-16(2)31-15)21-10-3-17(11-24-21)12-25-22(29)18-4-6-19(7-5-18)26-23(30)27-20-8-9-20/h3-7,10-11,15-16,20H,8-9,12-14H2,1-2H3,(H,25,29)(H2,26,27,30)
InChIKeyUWWLBFVOTRCPTN-UHFFFAOYSA-N
XLogP2.91
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide
CID 55710371
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 86974516
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-methylsulfonylbenzamide
CID 55709939
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 55722359
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 46487125
1-(3,4-difluorophenyl)-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea
CID 55702030
1-[4-(difluoromethoxy)phenyl]-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea
CID 55702001
4-(cyclopropylcarbamoylamino)-N-[[6-(diethylamino)-3-pyridinyl]methyl]benzamide
CID 55847521
1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[4-(imidazol-1-ylmethyl)phenyl]urea
CID 86933242
4-bromo-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3,5-dimethoxybenzamide
CID 46487103
4-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methylcarbamoylamino]-N,3-dimethylbenzamide
CID 55740946
2-(cyclopropylmethylamino)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]acetamide
CID 119846444

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylcarbamoylamino)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide?
The IUPAC name of 4-(cyclopropylcarbamoylamino)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide (CID 55839328) is 4-(cyclopropylcarbamoylamino)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide.
What is the SMILES notation for 4-(cyclopropylcarbamoylamino)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide?
The canonical SMILES for 4-(cyclopropylcarbamoylamino)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide is CC1CN(c2ccc(CNC(=O)c3ccc(NC(=O)NC4CC4)cc3)cn2)CC(C)O1.
What is the InChIKey of 4-(cyclopropylcarbamoylamino)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide?
The InChIKey is UWWLBFVOTRCPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-15-13-28(14-16(2)31-15)21-10-3-17(11-24-21)12-25-22(29)18-4-6-19(7-5-18)26-23(30)27-20-8-9-20/h3-7,10-11,15-16,20H,8-9,12-14H2,1-2H3,(H,25,29)(H2,26,27,30).
What are the key properties of 4-(cyclopropylcarbamoylamino)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide?
4-(cyclopropylcarbamoylamino)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide has a molecular weight of 423.52 g/mol, XLogP of 2.91, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylcarbamoylamino)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide is sourced from PubChem (CID 55839328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).