N-[2-(4-methoxyindol-1-yl)ethyl]-3-(pyrimidin-2-ylamino)propanamide

C18H21N5O2 — CID 71705067

IUPACN-[2-(4-methoxyindol-1-yl)ethyl]-3-(pyrimidin-2-ylamino)propanamide
SMILESCOc1cccc2c1ccn2CCNC(=O)CCNc1ncccn1
InChIInChI=1S/C18H21N5O2/c1-25-16-5-2-4-15-14(16)7-12-23(15)13-11-19-17(24)6-10-22-18-20-8-3-9-21-18/h2-5,7-9,12H,6,10-11,13H2,1H3,(H,19,24)(H,20,21,22)
InChIKeyRUPNKRBOJPSHBN-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.06
Rot. Bonds8

About N-[2-(4-methoxyindol-1-yl)ethyl]-3-(pyrimidin-2-ylamino)propanamide

N-[2-(4-methoxyindol-1-yl)ethyl]-3-(pyrimidin-2-ylamino)propanamide (PubChem CID 71705067) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[2-(4-methoxyindol-1-yl)ethyl]-3-(pyrimidin-2-ylamino)propanamide.

Molecular Properties

Compound NameN-[2-(4-methoxyindol-1-yl)ethyl]-3-(pyrimidin-2-ylamino)propanamide
PubChem CID71705067
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN-[2-(4-methoxyindol-1-yl)ethyl]-3-(pyrimidin-2-ylamino)propanamide
SMILESCOc1cccc2c1ccn2CCNC(=O)CCNc1ncccn1
InChIInChI=1S/C18H21N5O2/c1-25-16-5-2-4-15-14(16)7-12-23(15)13-11-19-17(24)6-10-22-18-20-8-3-9-21-18/h2-5,7-9,12H,6,10-11,13H2,1H3,(H,19,24)(H,20,21,22)
InChIKeyRUPNKRBOJPSHBN-UHFFFAOYSA-N
XLogP2.06
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(4-methoxyindol-1-yl)ethyl]acetamide
CID 91640593
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methoxyindol-1-yl)ethyl]propanamide
CID 71710011
N-[2-(4-methoxyindol-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide
CID 91638636
N-[2-(4-methoxyindol-1-yl)ethyl]-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide
CID 110205311
methyl 3-(4-methoxyindol-1-yl)propanoate
CID 83162468
N-[2-(4-methoxyindol-1-yl)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 136867017
methyl 4-(4-methoxyindol-1-yl)butanoate
CID 83163082
4-methoxy-1-[2-(2-methylimidazol-1-yl)ethyl]indole
CID 83173718
4-(4-methoxyindol-1-yl)butanoic acid
CID 83162861
tert-butyl 3-(4-methoxyindol-1-yl)propanoate
CID 116662779
N-[2-(4-methoxyindol-1-yl)ethyl]-1-oxo-4H-isoquinoline-4-carboxamide
CID 78149801
2-(4-methoxyindol-1-yl)-N-(3-methoxypropyl)acetamide
CID 83173338

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyindol-1-yl)ethyl]-3-(pyrimidin-2-ylamino)propanamide?
The IUPAC name of N-[2-(4-methoxyindol-1-yl)ethyl]-3-(pyrimidin-2-ylamino)propanamide (CID 71705067) is N-[2-(4-methoxyindol-1-yl)ethyl]-3-(pyrimidin-2-ylamino)propanamide.
What is the SMILES notation for N-[2-(4-methoxyindol-1-yl)ethyl]-3-(pyrimidin-2-ylamino)propanamide?
The canonical SMILES for N-[2-(4-methoxyindol-1-yl)ethyl]-3-(pyrimidin-2-ylamino)propanamide is COc1cccc2c1ccn2CCNC(=O)CCNc1ncccn1.
What is the InChIKey of N-[2-(4-methoxyindol-1-yl)ethyl]-3-(pyrimidin-2-ylamino)propanamide?
The InChIKey is RUPNKRBOJPSHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-25-16-5-2-4-15-14(16)7-12-23(15)13-11-19-17(24)6-10-22-18-20-8-3-9-21-18/h2-5,7-9,12H,6,10-11,13H2,1H3,(H,19,24)(H,20,21,22).
What are the key properties of N-[2-(4-methoxyindol-1-yl)ethyl]-3-(pyrimidin-2-ylamino)propanamide?
N-[2-(4-methoxyindol-1-yl)ethyl]-3-(pyrimidin-2-ylamino)propanamide has a molecular weight of 339.40 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyindol-1-yl)ethyl]-3-(pyrimidin-2-ylamino)propanamide is sourced from PubChem (CID 71705067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).