N-[2-(1H-indol-3-yl)ethyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide

C19H18N6O2 — CID 109352281

IUPACN-[2-(1H-indol-3-yl)ethyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
SMILESCc1cc(Nc2cc(C(=O)NCCc3c[nH]c4ccccc34)ncn2)no1
InChIInChI=1S/C19H18N6O2/c1-12-8-18(25-27-12)24-17-9-16(22-11-23-17)19(26)20-7-6-13-10-21-15-5-3-2-4-14(13)15/h2-5,8-11,21H,6-7H2,1H3,(H,20,26)(H,22,23,24,25)
InChIKeyZLUTZISFDZDJFY-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.97
Rot. Bonds6

About N-[2-(1H-indol-3-yl)ethyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide (PubChem CID 109352281) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
PubChem CID109352281
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
SMILESCc1cc(Nc2cc(C(=O)NCCc3c[nH]c4ccccc34)ncn2)no1
InChIInChI=1S/C19H18N6O2/c1-12-8-18(25-27-12)24-17-9-16(22-11-23-17)19(26)20-7-6-13-10-21-15-5-3-2-4-14(13)15/h2-5,8-11,21H,6-7H2,1H3,(H,20,26)(H,22,23,24,25)
InChIKeyZLUTZISFDZDJFY-UHFFFAOYSA-N
XLogP2.97
TPSA108.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-4-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-2-carboxamide
CID 109215332
N-[2-(1H-indol-3-yl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carboxamide
CID 109173719
6-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide
CID 109352254
6-(2,6-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide
CID 109352258
N-[2-(1H-indol-3-yl)ethyl]-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109346800
N-[2-(2,4-dichlorophenyl)ethyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109355489
N-[2-(1H-indol-3-yl)ethyl]-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350146
N-[2-(1H-indol-3-yl)ethyl]-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109349573
6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347017
5-[2-(1H-indol-3-yl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109193598
2-(1H-indol-3-yl)-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]acetamide
CID 113051735
4-N-[2-(1H-indol-3-yl)ethyl]-2-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 112896767

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide (CID 109352281) is N-[2-(1H-indol-3-yl)ethyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide is Cc1cc(Nc2cc(C(=O)NCCc3c[nH]c4ccccc34)ncn2)no1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide?
The InChIKey is ZLUTZISFDZDJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-12-8-18(25-27-12)24-17-9-16(22-11-23-17)19(26)20-7-6-13-10-21-15-5-3-2-4-14(13)15/h2-5,8-11,21H,6-7H2,1H3,(H,20,26)(H,22,23,24,25).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 2.97, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109352281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).