N-(cyclohexylmethyl)-N-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]propanamide

C24H29N3O2 — CID 142405234

IUPACN-(cyclohexylmethyl)-N-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]propanamide
SMILESCN(CC1CCCCC1)C(=O)CCc1ccc(Oc2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C24H29N3O2/c1-27(17-19-5-3-2-4-6-19)23(28)12-9-18-7-10-20(11-8-18)29-22-14-16-26-24-21(22)13-15-25-24/h7-8,10-11,13-16,19H,2-6,9,12,17H2,1H3,(H,25,26)
InChIKeyMZJFVXUNCYLRMI-UHFFFAOYSA-N
MW391.52 g/mol
LogP5.33
Rot. Bonds7

About N-(cyclohexylmethyl)-N-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]propanamide

N-(cyclohexylmethyl)-N-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]propanamide (PubChem CID 142405234) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]propanamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]propanamide
PubChem CID142405234
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC NameN-(cyclohexylmethyl)-N-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]propanamide
SMILESCN(CC1CCCCC1)C(=O)CCc1ccc(Oc2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C24H29N3O2/c1-27(17-19-5-3-2-4-6-19)23(28)12-9-18-7-10-20(11-8-18)29-22-14-16-26-24-21(22)13-15-25-24/h7-8,10-11,13-16,19H,2-6,9,12,17H2,1H3,(H,25,26)
InChIKeyMZJFVXUNCYLRMI-UHFFFAOYSA-N
XLogP5.33
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.52
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-N-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]propanamide
CID 142405243
2-amino-N-(cyclohexylmethyl)-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]propanamide
CID 135260912
3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-N-(1,3-thiazol-2-yl)propanamide
CID 142405268
4-[3-[cyclopentylmethyl(methyl)amino]-3-oxopropyl]benzoic acid
CID 119183051
4-[3-[cyclopropylmethyl(methyl)amino]-3-oxopropyl]benzoic acid
CID 119181808
ethyl 5-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate
CID 126517704
2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]propanoic acid
CID 135261196
2-amino-N-cyclohexyl-3-[5-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-2-pyridinyl]propanamide
CID 135260911
N-[[(3S)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyridin-3-ylpropanamide
CID 42098715
(2R)-2-amino-N-(cyclohexylmethyl)-3-[4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]propanamide
CID 135260738
(2R)-2-amino-N-cyclohexyl-3-[3,5-difluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]propanamide
CID 135260959
N-(cyclohexylmethyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide
CID 36521100

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]propanamide?
The IUPAC name of N-(cyclohexylmethyl)-N-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]propanamide (CID 142405234) is N-(cyclohexylmethyl)-N-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]propanamide.
What is the SMILES notation for N-(cyclohexylmethyl)-N-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]propanamide?
The canonical SMILES for N-(cyclohexylmethyl)-N-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]propanamide is CN(CC1CCCCC1)C(=O)CCc1ccc(Oc2ccnc3[nH]ccc23)cc1.
What is the InChIKey of N-(cyclohexylmethyl)-N-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]propanamide?
The InChIKey is MZJFVXUNCYLRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-27(17-19-5-3-2-4-6-19)23(28)12-9-18-7-10-20(11-8-18)29-22-14-16-26-24-21(22)13-15-25-24/h7-8,10-11,13-16,19H,2-6,9,12,17H2,1H3,(H,25,26).
What are the key properties of N-(cyclohexylmethyl)-N-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]propanamide?
N-(cyclohexylmethyl)-N-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]propanamide has a molecular weight of 391.52 g/mol, XLogP of 5.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]propanamide is sourced from PubChem (CID 142405234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).