N-(1-methylindol-7-yl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide

C21H25N5O3 — CID 136535120

IUPACN-(1-methylindol-7-yl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
SMILESCc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)Nc1cccc2ccn(C)c12
InChIInChI=1S/C21H25N5O3/c1-14-16(20(28)24-21(22-14)26-10-12-29-13-11-26)6-7-18(27)23-17-5-3-4-15-8-9-25(2)19(15)17/h3-5,8-9H,6-7,10-13H2,1-2H3,(H,23,27)(H,22,24,28)
InChIKeyKSLPOSYUDAMKTI-UHFFFAOYSA-N
MW395.46 g/mol
LogP1.98
Rot. Bonds5

About N-(1-methylindol-7-yl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide

N-(1-methylindol-7-yl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide (PubChem CID 136535120) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-(1-methylindol-7-yl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-(1-methylindol-7-yl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
PubChem CID136535120
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC NameN-(1-methylindol-7-yl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
SMILESCc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)Nc1cccc2ccn(C)c12
InChIInChI=1S/C21H25N5O3/c1-14-16(20(28)24-21(22-14)26-10-12-29-13-11-26)6-7-18(27)23-17-5-3-4-15-8-9-25(2)19(15)17/h3-5,8-9H,6-7,10-13H2,1-2H3,(H,23,27)(H,22,24,28)
InChIKeyKSLPOSYUDAMKTI-UHFFFAOYSA-N
XLogP1.98
TPSA92.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxy-5-methylphenyl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 135927493
3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide
CID 135883436
N-(3,4-dichlorophenyl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
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3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
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3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 135737751
3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-(1-thiophen-2-ylethyl)propanamide
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N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 135794890
3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 137302247
N-(1,3-benzothiazol-2-ylmethyl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 135667497
N-methyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-phenylpropanamide
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(2S,3S)-3-methyl-2-[3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanoylamino]pentanoic acid
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N-[2-(dimethylamino)-3-phenylpropyl]-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 137295643

Frequently Asked Questions

What is the IUPAC name of N-(1-methylindol-7-yl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide?
The IUPAC name of N-(1-methylindol-7-yl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide (CID 136535120) is N-(1-methylindol-7-yl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide.
What is the SMILES notation for N-(1-methylindol-7-yl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide?
The canonical SMILES for N-(1-methylindol-7-yl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide is Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)Nc1cccc2ccn(C)c12.
What is the InChIKey of N-(1-methylindol-7-yl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide?
The InChIKey is KSLPOSYUDAMKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-14-16(20(28)24-21(22-14)26-10-12-29-13-11-26)6-7-18(27)23-17-5-3-4-15-8-9-25(2)19(15)17/h3-5,8-9H,6-7,10-13H2,1-2H3,(H,23,27)(H,22,24,28).
What are the key properties of N-(1-methylindol-7-yl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide?
N-(1-methylindol-7-yl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide has a molecular weight of 395.46 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylindol-7-yl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide is sourced from PubChem (CID 136535120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).