N-[4-[1-(2-cyclopropylacetyl)indol-5-yl]oxy-2-pyridinyl]-3-(4-hydroxypiperidin-1-yl)propanamide

C26H30N4O4 — CID 58272968

IUPACN-[4-[1-(2-cyclopropylacetyl)indol-5-yl]oxy-2-pyridinyl]-3-(4-hydroxypiperidin-1-yl)propanamide
SMILESO=C(CCN1CCC(O)CC1)Nc1cc(Oc2ccc3c(ccn3C(=O)CC3CC3)c2)ccn1
InChIInChI=1S/C26H30N4O4/c31-20-7-11-29(12-8-20)13-9-25(32)28-24-17-22(5-10-27-24)34-21-3-4-23-19(16-21)6-14-30(23)26(33)15-18-1-2-18/h3-6,10,14,16-18,20,31H,1-2,7-9,11-13,15H2,(H,27,28,32)
InChIKeyGWTILRGRUFLMEZ-UHFFFAOYSA-N
MW462.55 g/mol
LogP4.05
Rot. Bonds8

About N-[4-[1-(2-cyclopropylacetyl)indol-5-yl]oxy-2-pyridinyl]-3-(4-hydroxypiperidin-1-yl)propanamide

N-[4-[1-(2-cyclopropylacetyl)indol-5-yl]oxy-2-pyridinyl]-3-(4-hydroxypiperidin-1-yl)propanamide (PubChem CID 58272968) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is N-[4-[1-(2-cyclopropylacetyl)indol-5-yl]oxy-2-pyridinyl]-3-(4-hydroxypiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-[1-(2-cyclopropylacetyl)indol-5-yl]oxy-2-pyridinyl]-3-(4-hydroxypiperidin-1-yl)propanamide
PubChem CID58272968
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC NameN-[4-[1-(2-cyclopropylacetyl)indol-5-yl]oxy-2-pyridinyl]-3-(4-hydroxypiperidin-1-yl)propanamide
SMILESO=C(CCN1CCC(O)CC1)Nc1cc(Oc2ccc3c(ccn3C(=O)CC3CC3)c2)ccn1
InChIInChI=1S/C26H30N4O4/c31-20-7-11-29(12-8-20)13-9-25(32)28-24-17-22(5-10-27-24)34-21-3-4-23-19(16-21)6-14-30(23)26(33)15-18-1-2-18/h3-6,10,14,16-18,20,31H,1-2,7-9,11-13,15H2,(H,27,28,32)
InChIKeyGWTILRGRUFLMEZ-UHFFFAOYSA-N
XLogP4.05
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[[2-[4-(4-hydroxypiperidin-1-yl)butanoylamino]-4-pyridinyl]oxy]-N-phenylindole-1-carboxamide;isocyanatobenzene
CID 161009608
5-[[2-[3-(4-hydroxypiperidin-1-yl)propylcarbamoylamino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide
CID 10344471
1-(cyclopropylmethyl)-N-[4-[1-(2-phenylacetyl)indol-5-yl]oxy-2-pyridinyl]piperidine-4-carboxamide
CID 58272881
1-[4-[1-(2-cyclopropylacetyl)indol-5-yl]oxy-2-pyridinyl]pyrrolidin-2-one
CID 58272542
5-[[2-[(4-hydroxypiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]-N-(3-methylbutyl)indole-1-carboxamide
CID 10073189
5-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-cyclopropylindole-1-carboxamide
CID 58930818
N-methyl-5-[[2-[(4-pyrrolidin-1-ylpiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide
CID 10434497
N-methyl-5-[[2-(prop-2-enylcarbamoylamino)-4-pyridinyl]oxy]indole-1-carboxamide
CID 23072181
5-[[2-[[(2R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamoylamino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide
CID 10457251
5-[[2-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoylamino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide
CID 10343072
N-[4-[2-(3-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-3-(1-methylpiperidin-4-yl)propanamide
CID 59790245
N-[4-[2-(4-chloro-3-propan-2-ylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-3-(1-methylpiperidin-4-yl)propanamide
CID 59790128

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2-cyclopropylacetyl)indol-5-yl]oxy-2-pyridinyl]-3-(4-hydroxypiperidin-1-yl)propanamide?
The IUPAC name of N-[4-[1-(2-cyclopropylacetyl)indol-5-yl]oxy-2-pyridinyl]-3-(4-hydroxypiperidin-1-yl)propanamide (CID 58272968) is N-[4-[1-(2-cyclopropylacetyl)indol-5-yl]oxy-2-pyridinyl]-3-(4-hydroxypiperidin-1-yl)propanamide.
What is the SMILES notation for N-[4-[1-(2-cyclopropylacetyl)indol-5-yl]oxy-2-pyridinyl]-3-(4-hydroxypiperidin-1-yl)propanamide?
The canonical SMILES for N-[4-[1-(2-cyclopropylacetyl)indol-5-yl]oxy-2-pyridinyl]-3-(4-hydroxypiperidin-1-yl)propanamide is O=C(CCN1CCC(O)CC1)Nc1cc(Oc2ccc3c(ccn3C(=O)CC3CC3)c2)ccn1.
What is the InChIKey of N-[4-[1-(2-cyclopropylacetyl)indol-5-yl]oxy-2-pyridinyl]-3-(4-hydroxypiperidin-1-yl)propanamide?
The InChIKey is GWTILRGRUFLMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4/c31-20-7-11-29(12-8-20)13-9-25(32)28-24-17-22(5-10-27-24)34-21-3-4-23-19(16-21)6-14-30(23)26(33)15-18-1-2-18/h3-6,10,14,16-18,20,31H,1-2,7-9,11-13,15H2,(H,27,28,32).
What are the key properties of N-[4-[1-(2-cyclopropylacetyl)indol-5-yl]oxy-2-pyridinyl]-3-(4-hydroxypiperidin-1-yl)propanamide?
N-[4-[1-(2-cyclopropylacetyl)indol-5-yl]oxy-2-pyridinyl]-3-(4-hydroxypiperidin-1-yl)propanamide has a molecular weight of 462.55 g/mol, XLogP of 4.05, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2-cyclopropylacetyl)indol-5-yl]oxy-2-pyridinyl]-3-(4-hydroxypiperidin-1-yl)propanamide is sourced from PubChem (CID 58272968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).